REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1myp_1_C DATA FIRST_RESID 114 DATA SEQUENCE NcETScVQQP PcFPLKIPPN DPRIKNQADc IPFFRSCPAC PGSNITIRNQ DATA SEQUENCE INALTSFVDA SMVYGSEEPL ARNLRNMSNQ LGLLAVNQRF QDNGRALLPF DATA SEQUENCE DNLHDDPcLL TNRSARIPcF LAGDTRSSEM PELTSMHTLL LREHNRLATE DATA SEQUENCE LKSLNPRWDG ERLYQEARKI VGAMVQIITY RDYLPLVLGP TAMRKYLPTY DATA SEQUENCE RSYNDSVDPR IANVFTNAFR YGHTLIQPFM FRLDNRYQPM EPNPRVPLSR DATA SEQUENCE VFFASWRVVL EGGIDPILRG LMATPAKLNR QNQIAVDEIR ERLFEQVMRI DATA SEQUENCE GLDLPALNMQ RSRDHGLPGY NAWRRFcGLP QPETVGQLGT VLRNLKLARK DATA SEQUENCE LMEQYGTPNN IDIWMGGVSE PLKRKGRVGP LLAcIIGTQF RKLRDGDRFW DATA SEQUENCE WENEGVFSMQ QRQALAQISL PRIIcDNTGI TTVSKNNIFM SNSYPRDFVN DATA SEQUENCE cSTLPALNLA SW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 114 N HA 0.000 nan 4.740 nan 0.000 0.220 114 N C 0.000 175.469 175.510 -0.069 0.000 1.280 114 N CA 0.000 53.062 53.050 0.020 0.000 0.885 114 N CB 0.000 38.520 38.487 0.055 0.000 1.341 115 c N 1.945 120.412 118.600 -0.222 0.000 2.319 115 c HA 0.402 4.973 4.570 0.001 0.000 0.350 115 c C 1.547 175.442 174.090 -0.325 0.000 1.326 115 c CA -0.470 55.603 56.329 -0.426 0.000 1.737 115 c CB -1.542 40.488 42.510 -0.799 0.000 1.988 115 c HN 0.725 nan 8.230 nan 0.000 0.582 116 E N 0.755 120.896 120.200 -0.099 0.000 2.357 116 E HA -0.043 4.308 4.350 0.001 0.000 0.202 116 E C 2.300 178.891 176.600 -0.015 0.000 0.855 116 E CA 0.718 57.107 56.400 -0.019 0.000 1.048 116 E CB 0.124 29.875 29.700 0.084 0.000 1.037 116 E HN 0.437 nan 8.360 nan 0.000 0.499 117 T N -1.299 113.250 114.554 -0.009 0.000 3.088 117 T HA 0.140 4.490 4.350 0.001 0.000 0.259 117 T C 0.587 175.275 174.700 -0.020 0.000 1.122 117 T CA 0.273 62.368 62.100 -0.007 0.000 1.095 117 T CB 0.151 69.021 68.868 0.004 0.000 0.930 117 T HN -0.030 nan 8.240 nan 0.000 0.508 118 S N -1.452 114.226 115.700 -0.038 0.000 2.566 118 S HA 0.518 4.988 4.470 0.001 0.000 0.298 118 S C 0.385 174.957 174.600 -0.047 0.000 1.083 118 S CA -0.882 57.295 58.200 -0.038 0.000 0.978 118 S CB 1.313 64.494 63.200 -0.033 0.000 1.073 118 S HN 0.393 nan 8.310 nan 0.000 0.491 119 c N 2.735 121.316 118.600 -0.031 0.000 2.974 119 c HA 0.339 4.909 4.570 0.001 0.000 0.282 119 c C 0.477 174.559 174.090 -0.012 0.000 1.292 119 c CA -0.584 55.730 56.329 -0.025 0.000 1.710 119 c CB -1.476 41.019 42.510 -0.024 0.000 2.036 119 c HN 0.661 nan 8.230 nan 0.000 0.629 120 V N 0.882 120.791 119.914 -0.008 0.000 2.924 120 V HA 0.106 4.227 4.120 0.001 0.000 0.305 120 V C 0.259 176.366 176.094 0.021 0.000 1.073 120 V CA -0.053 62.250 62.300 0.005 0.000 1.098 120 V CB 0.469 32.294 31.823 0.004 0.000 1.000 120 V HN 0.406 nan 8.190 nan 0.000 0.484 121 Q N 1.938 121.760 119.800 0.037 0.000 2.566 121 Q HA 0.397 4.737 4.340 0.001 0.000 0.221 121 Q C -0.677 175.355 176.000 0.053 0.000 1.195 121 Q CA 0.017 55.862 55.803 0.070 0.000 0.967 121 Q CB 0.389 29.178 28.738 0.085 0.000 1.337 121 Q HN 0.773 nan 8.270 nan 0.000 0.553 122 Q N 3.316 123.148 119.800 0.052 0.000 2.280 122 Q HA 0.268 4.609 4.340 0.001 0.000 0.259 122 Q C -2.217 173.809 176.000 0.043 0.000 0.964 122 Q CA -1.651 54.174 55.803 0.036 0.000 0.844 122 Q CB 1.810 30.561 28.738 0.022 0.000 1.334 122 Q HN 0.269 nan 8.270 nan 0.000 0.423 123 P HA -0.338 nan 4.420 nan 0.000 0.274 123 P C -1.686 175.663 177.300 0.082 0.000 0.812 123 P CA 2.274 65.403 63.100 0.049 0.000 1.028 123 P CB -1.460 30.261 31.700 0.036 0.000 0.888 124 P HA -0.191 nan 4.420 nan 0.000 0.222 124 P C 0.341 177.742 177.300 0.168 0.000 1.155 124 P CA 1.731 64.929 63.100 0.163 0.000 0.890 124 P CB -0.862 30.963 31.700 0.209 0.000 0.790 125 c N -1.399 117.252 118.600 0.084 0.000 2.443 125 c HA 0.570 5.141 4.570 0.001 0.000 0.369 125 c C 0.329 174.569 174.090 0.250 0.000 1.241 125 c CA -0.379 56.001 56.329 0.086 0.000 2.413 125 c CB -0.344 42.148 42.510 -0.030 0.000 2.451 125 c HN 0.229 nan 8.230 nan 0.000 0.595 126 F N 3.022 123.037 119.950 0.109 0.000 3.508 126 F HA 0.369 4.896 4.527 0.001 0.000 0.414 126 F C -2.871 172.967 175.800 0.064 0.000 1.119 126 F CA -2.547 55.510 58.000 0.096 0.000 1.383 126 F CB 0.187 39.296 39.000 0.181 0.000 2.460 126 F HN 0.383 nan 8.300 nan 0.000 0.737 127 P HA 0.360 nan 4.420 nan 0.000 0.276 127 P C -0.876 176.235 177.300 -0.315 0.000 1.261 127 P CA -0.427 62.605 63.100 -0.113 0.000 0.800 127 P CB 1.351 33.027 31.700 -0.040 0.000 1.066 128 L N 1.177 122.255 121.223 -0.241 0.000 2.287 128 L HA 0.267 4.608 4.340 0.001 0.000 0.280 128 L C 0.854 177.631 176.870 -0.155 0.000 1.055 128 L CA -0.040 54.642 54.840 -0.263 0.000 0.863 128 L CB -0.302 41.622 42.059 -0.225 0.000 1.245 128 L HN 0.136 nan 8.230 nan 0.000 0.432 129 K N 3.498 123.814 120.400 -0.140 0.000 2.414 129 K HA 0.283 4.604 4.320 0.001 0.000 0.272 129 K C 0.182 176.732 176.600 -0.082 0.000 0.993 129 K CA -0.252 55.982 56.287 -0.088 0.000 0.964 129 K CB 1.201 33.660 32.500 -0.068 0.000 0.925 129 K HN 0.576 nan 8.250 nan 0.000 0.487 130 I N -0.246 120.287 120.570 -0.061 0.000 2.797 130 I HA 0.432 4.603 4.170 0.001 0.000 0.310 130 I C -2.277 173.810 176.117 -0.048 0.000 0.990 130 I CA -1.839 59.427 61.300 -0.055 0.000 1.228 130 I CB 1.112 39.084 38.000 -0.046 0.000 1.406 130 I HN 0.448 nan 8.210 nan 0.000 0.534 131 P HA 0.569 nan 4.420 nan 0.000 0.317 131 P C -2.470 174.811 177.300 -0.032 0.000 1.301 131 P CA -1.510 61.566 63.100 -0.040 0.000 0.799 131 P CB 0.145 31.818 31.700 -0.045 0.000 1.344 132 P HA -0.031 nan 4.420 nan 0.000 0.219 132 P C -0.372 176.916 177.300 -0.021 0.000 1.150 132 P CA 1.331 64.417 63.100 -0.023 0.000 0.814 132 P CB -0.266 31.422 31.700 -0.021 0.000 0.787 133 N N -0.064 118.623 118.700 -0.023 0.000 2.813 133 N HA 0.152 4.892 4.740 0.001 0.000 0.282 133 N C -0.750 174.746 175.510 -0.022 0.000 1.748 133 N CA -0.386 52.652 53.050 -0.020 0.000 0.860 133 N CB 0.371 38.848 38.487 -0.017 0.000 1.204 133 N HN -0.081 nan 8.380 nan 0.000 0.490 134 D N 0.964 121.349 120.400 -0.025 0.000 2.344 134 D HA 0.149 4.789 4.640 0.001 0.000 0.244 134 D C -1.233 175.052 176.300 -0.025 0.000 1.134 134 D CA -1.433 52.551 54.000 -0.027 0.000 0.930 134 D CB 1.736 42.518 40.800 -0.031 0.000 1.175 134 D HN 0.122 nan 8.370 nan 0.000 0.437 135 P HA 0.018 nan 4.420 nan 0.000 0.210 135 P C 1.342 178.626 177.300 -0.027 0.000 1.173 135 P CA 0.801 63.886 63.100 -0.024 0.000 0.898 135 P CB 0.257 31.943 31.700 -0.023 0.000 0.758 136 R N 0.829 121.310 120.500 -0.033 0.000 2.096 136 R HA -0.050 4.290 4.340 0.001 0.000 0.229 136 R C 1.584 177.865 176.300 -0.032 0.000 1.134 136 R CA 1.252 57.331 56.100 -0.036 0.000 0.917 136 R CB -1.687 28.586 30.300 -0.045 0.000 0.832 136 R HN 0.119 nan 8.270 nan 0.000 0.430 137 I N 2.441 122.991 120.570 -0.034 0.000 2.382 137 I HA 0.047 4.218 4.170 0.001 0.000 0.297 137 I C -0.503 175.598 176.117 -0.028 0.000 1.172 137 I CA 0.209 61.490 61.300 -0.032 0.000 1.825 137 I CB -0.143 37.836 38.000 -0.034 0.000 1.509 137 I HN 0.321 nan 8.210 nan 0.000 0.842 138 K N 5.102 125.488 120.400 -0.024 0.000 3.322 138 K HA 0.086 4.407 4.320 0.001 0.000 0.291 138 K C -0.442 176.147 176.600 -0.019 0.000 1.131 138 K CA -0.050 56.224 56.287 -0.021 0.000 1.185 138 K CB -0.364 32.125 32.500 -0.018 0.000 1.338 138 K HN 0.680 nan 8.250 nan 0.000 0.380 139 N N -0.837 117.851 118.700 -0.021 0.000 2.578 139 N HA -0.039 4.701 4.740 0.001 0.000 0.282 139 N C -0.304 175.193 175.510 -0.021 0.000 1.119 139 N CA -0.261 52.778 53.050 -0.019 0.000 0.948 139 N CB 1.201 39.678 38.487 -0.017 0.000 1.546 139 N HN -0.161 nan 8.380 nan 0.000 0.525 140 Q N 1.218 121.006 119.800 -0.020 0.000 2.547 140 Q HA 0.097 4.437 4.340 0.001 0.000 0.217 140 Q C 1.215 177.202 176.000 -0.021 0.000 0.978 140 Q CA 0.963 56.753 55.803 -0.022 0.000 0.962 140 Q CB 0.166 28.892 28.738 -0.021 0.000 0.990 140 Q HN 0.625 nan 8.270 nan 0.000 0.538 141 A N -0.615 122.194 122.820 -0.019 0.000 2.535 141 A HA 0.229 4.549 4.320 0.001 0.000 0.273 141 A C 0.270 177.842 177.584 -0.020 0.000 1.267 141 A CA -0.244 51.783 52.037 -0.018 0.000 0.940 141 A CB 0.436 19.427 19.000 -0.014 0.000 1.101 141 A HN 0.324 nan 8.150 nan 0.000 0.521 142 D N -0.602 119.783 120.400 -0.024 0.000 2.525 142 D HA 0.657 5.297 4.640 0.001 0.000 0.249 142 D C -0.822 175.457 176.300 -0.034 0.000 1.072 142 D CA 0.087 54.071 54.000 -0.026 0.000 1.067 142 D CB 2.570 43.355 40.800 -0.024 0.000 1.282 142 D HN 0.464 nan 8.370 nan 0.000 0.587 143 c N -0.000 118.579 118.600 -0.035 0.000 3.285 143 c HA 0.674 5.244 4.570 0.001 0.000 0.325 143 c C -0.523 173.546 174.090 -0.034 0.000 1.304 143 c CA -1.100 55.203 56.329 -0.044 0.000 1.319 143 c CB -0.106 42.375 42.510 -0.048 0.000 1.640 143 c HN 0.626 nan 8.230 nan 0.000 0.477 144 I N 1.951 122.499 120.570 -0.036 0.000 2.440 144 I HA 0.706 4.876 4.170 0.001 0.000 0.294 144 I C -2.412 173.714 176.117 0.015 0.000 0.995 144 I CA -1.860 59.435 61.300 -0.009 0.000 1.306 144 I CB 1.960 39.950 38.000 -0.017 0.000 1.407 144 I HN 0.545 nan 8.210 nan 0.000 0.501 145 P HA 0.325 nan 4.420 nan 0.000 0.276 145 P C -1.412 175.982 177.300 0.157 0.000 1.244 145 P CA -0.015 63.107 63.100 0.038 0.000 0.801 145 P CB 0.633 32.320 31.700 -0.021 0.000 1.006 146 F N 1.221 121.100 119.950 -0.118 0.000 2.689 146 F HA 0.392 4.919 4.527 0.001 0.000 0.332 146 F C -1.452 174.329 175.800 -0.032 0.000 1.209 146 F CA -0.588 57.395 58.000 -0.028 0.000 1.028 146 F CB 0.833 39.790 39.000 -0.072 0.000 1.291 146 F HN 0.043 nan 8.300 nan 0.000 0.500 147 F N 5.586 125.480 119.950 -0.092 0.000 2.391 147 F HA 0.472 4.999 4.527 0.001 0.000 0.359 147 F C 0.656 176.441 175.800 -0.025 0.000 1.122 147 F CA -0.704 57.298 58.000 0.003 0.000 1.120 147 F CB 0.921 39.896 39.000 -0.041 0.000 1.142 147 F HN 0.412 nan 8.300 nan 0.000 0.483 148 R N 1.142 121.846 120.500 0.339 0.000 2.738 148 R HA 0.325 4.665 4.340 0.001 0.000 0.268 148 R C -0.003 176.413 176.300 0.193 0.000 1.062 148 R CA -0.660 55.630 56.100 0.316 0.000 1.158 148 R CB 0.307 30.868 30.300 0.435 0.000 1.046 148 R HN 0.471 nan 8.270 nan 0.000 0.493 149 S N 0.321 116.133 115.700 0.188 0.000 2.533 149 S HA 0.143 4.614 4.470 0.001 0.000 0.282 149 S C 0.533 175.152 174.600 0.031 0.000 1.304 149 S CA -0.202 58.062 58.200 0.107 0.000 1.063 149 S CB -0.145 63.156 63.200 0.168 0.000 0.881 149 S HN 0.757 nan 8.310 nan 0.000 0.493 150 C N 7.495 126.803 119.300 0.013 0.000 2.651 150 C HA 0.474 4.935 4.460 0.001 0.000 0.410 150 C C -1.220 173.755 174.990 -0.026 0.000 1.372 150 C CA -1.568 57.450 59.018 -0.001 0.000 1.707 150 C CB -1.028 26.712 27.740 0.001 0.000 2.501 150 C HN 0.453 nan 8.230 nan 0.000 0.598 151 P HA 0.370 nan 4.420 nan 0.000 0.272 151 P C 0.505 177.793 177.300 -0.020 0.000 1.230 151 P CA 0.707 63.791 63.100 -0.028 0.000 0.788 151 P CB 0.802 32.493 31.700 -0.016 0.000 0.949 152 A N 0.742 123.549 122.820 -0.022 0.000 2.169 152 A HA 0.126 4.447 4.320 0.001 0.000 0.212 152 A C 0.838 178.418 177.584 -0.006 0.000 1.153 152 A CA 0.529 52.559 52.037 -0.012 0.000 0.756 152 A CB -0.562 18.432 19.000 -0.010 0.000 0.813 152 A HN 0.640 nan 8.150 nan 0.000 0.471 153 C N 1.426 120.722 119.300 -0.006 0.000 2.781 153 C HA 0.615 5.076 4.460 0.001 0.000 0.348 153 C C -3.085 171.903 174.990 -0.002 0.000 1.051 153 C CA -2.149 56.867 59.018 -0.003 0.000 1.347 153 C CB 0.459 28.198 27.740 -0.002 0.000 1.846 153 C HN 0.299 nan 8.230 nan 0.000 0.473 154 P HA 0.484 nan 4.420 nan 0.000 0.282 154 P C 0.628 177.928 177.300 0.001 0.000 1.249 154 P CA 1.063 64.163 63.100 0.001 0.000 0.806 154 P CB 0.845 32.547 31.700 0.003 0.000 0.984 155 G N 0.610 109.411 108.800 0.001 0.000 2.225 155 G HA2 -0.179 3.781 3.960 0.001 0.000 0.264 155 G HA3 -0.179 3.781 3.960 0.001 0.000 0.264 155 G C 0.133 175.033 174.900 0.000 0.000 1.060 155 G CA -0.049 45.052 45.100 0.001 0.000 0.833 155 G HN 0.626 nan 8.290 nan 0.000 0.498 156 S N -0.235 115.464 115.700 -0.001 0.000 2.578 156 S HA 0.675 5.145 4.470 0.001 0.000 0.301 156 S C 0.926 175.524 174.600 -0.003 0.000 1.091 156 S CA -0.129 58.070 58.200 -0.002 0.000 1.032 156 S CB 1.289 64.489 63.200 -0.001 0.000 1.064 156 S HN 0.697 nan 8.310 nan 0.000 0.508 157 N N 1.895 120.594 118.700 -0.002 0.000 2.118 157 N HA 0.081 4.821 4.740 0.001 0.000 0.226 157 N C 0.618 176.126 175.510 -0.003 0.000 1.305 157 N CA 0.022 53.070 53.050 -0.003 0.000 0.890 157 N CB 0.227 38.713 38.487 -0.002 0.000 1.118 157 N HN 0.686 nan 8.380 nan 0.000 0.511 158 I N -3.657 116.911 120.570 -0.002 0.000 4.774 158 I HA 0.303 4.474 4.170 0.001 0.000 0.330 158 I C -0.039 176.077 176.117 -0.001 0.000 1.287 158 I CA 0.049 61.348 61.300 -0.001 0.000 1.311 158 I CB 0.299 38.299 38.000 -0.000 0.000 1.315 158 I HN -0.216 nan 8.210 nan 0.000 0.459 159 T N 3.302 117.855 114.554 -0.001 0.000 2.888 159 T HA 0.344 4.694 4.350 0.001 0.000 0.301 159 T C -0.100 174.598 174.700 -0.002 0.000 1.001 159 T CA 0.105 62.205 62.100 -0.001 0.000 1.147 159 T CB 0.227 69.094 68.868 -0.001 0.000 0.931 159 T HN 0.083 nan 8.240 nan 0.000 0.541 160 I N 5.000 125.569 120.570 -0.001 0.000 2.416 160 I HA 0.247 4.417 4.170 0.001 0.000 0.288 160 I C 1.107 177.223 176.117 -0.002 0.000 1.051 160 I CA -0.195 61.105 61.300 -0.000 0.000 1.375 160 I CB 0.693 38.694 38.000 0.003 0.000 1.407 160 I HN 0.513 nan 8.210 nan 0.000 0.516 161 R N 5.271 125.767 120.500 -0.006 0.000 2.513 161 R HA -0.024 4.316 4.340 0.001 0.000 0.333 161 R C -0.144 176.144 176.300 -0.019 0.000 0.925 161 R CA 0.615 56.707 56.100 -0.014 0.000 1.072 161 R CB -0.231 30.059 30.300 -0.017 0.000 0.914 161 R HN 0.688 nan 8.270 nan 0.000 0.408 162 N N 1.824 120.507 118.700 -0.028 0.000 2.292 162 N HA 0.203 4.943 4.740 0.001 0.000 0.303 162 N C -1.143 174.324 175.510 -0.072 0.000 1.140 162 N CA -0.759 52.269 53.050 -0.037 0.000 0.788 162 N CB 1.514 39.994 38.487 -0.013 0.000 1.361 162 N HN 0.446 nan 8.380 nan 0.000 0.489 163 Q N 1.622 121.355 119.800 -0.110 0.000 2.241 163 Q HA 0.483 4.823 4.340 0.001 0.000 0.262 163 Q C -0.255 175.711 176.000 -0.055 0.000 1.014 163 Q CA -0.766 54.953 55.803 -0.140 0.000 0.885 163 Q CB 2.041 30.548 28.738 -0.386 0.000 1.311 163 Q HN 0.506 nan 8.270 nan 0.000 0.461 164 I N 1.022 121.572 120.570 -0.034 0.000 2.677 164 I HA 0.241 4.412 4.170 0.001 0.000 0.305 164 I C 0.121 176.249 176.117 0.019 0.000 0.988 164 I CA -0.512 60.785 61.300 -0.003 0.000 1.260 164 I CB 1.128 39.126 38.000 -0.003 0.000 1.410 164 I HN 0.684 nan 8.210 nan 0.000 0.523 165 N N 2.218 120.930 118.700 0.021 0.000 2.399 165 N HA 0.390 5.131 4.740 0.001 0.000 0.284 165 N C 0.162 175.687 175.510 0.025 0.000 1.025 165 N CA -0.290 52.779 53.050 0.031 0.000 0.885 165 N CB 1.986 40.491 38.487 0.030 0.000 1.339 165 N HN 0.717 nan 8.380 nan 0.000 0.487 166 A N 3.695 126.534 122.820 0.031 0.000 1.970 166 A HA 0.076 4.396 4.320 0.001 0.000 0.216 166 A C 0.821 178.427 177.584 0.037 0.000 1.170 166 A CA 0.747 52.802 52.037 0.030 0.000 0.645 166 A CB -0.078 18.939 19.000 0.030 0.000 0.816 166 A HN 0.539 nan 8.150 nan 0.000 0.447 167 L N -0.284 120.964 121.223 0.042 0.000 2.682 167 L HA 0.331 4.672 4.340 0.001 0.000 0.209 167 L C 0.991 177.883 176.870 0.036 0.000 1.195 167 L CA 0.741 55.612 54.840 0.051 0.000 0.869 167 L CB -0.144 41.954 42.059 0.065 0.000 1.599 167 L HN 0.301 nan 8.230 nan 0.000 0.518 168 T N -3.743 110.837 114.554 0.043 0.000 2.807 168 T HA 0.389 4.739 4.350 0.001 0.000 0.279 168 T C 0.611 175.283 174.700 -0.047 0.000 0.993 168 T CA -0.484 61.623 62.100 0.013 0.000 0.970 168 T CB 1.161 70.097 68.868 0.114 0.000 0.950 168 T HN 0.388 nan 8.240 nan 0.000 0.441 169 S N 1.529 117.085 115.700 -0.240 0.000 2.453 169 S HA 0.111 4.581 4.470 0.001 0.000 0.231 169 S C 0.494 174.997 174.600 -0.161 0.000 1.005 169 S CA 0.003 58.059 58.200 -0.239 0.000 0.949 169 S CB -0.646 62.323 63.200 -0.385 0.000 0.774 169 S HN 0.678 nan 8.310 nan 0.000 0.510 170 F N 1.693 121.707 119.950 0.108 0.000 2.586 170 F HA 0.085 4.613 4.527 0.001 0.000 0.344 170 F C 0.908 176.819 175.800 0.184 0.000 1.188 170 F CA -0.901 57.190 58.000 0.150 0.000 1.359 170 F CB 0.115 39.192 39.000 0.129 0.000 1.129 170 F HN -0.202 nan 8.300 nan 0.000 0.609 171 V N 2.684 122.886 119.914 0.482 0.000 2.056 171 V HA 0.089 4.209 4.120 0.001 0.000 0.267 171 V C -0.515 175.757 176.094 0.297 0.000 1.535 171 V CA -0.527 62.004 62.300 0.385 0.000 1.475 171 V CB -1.442 30.671 31.823 0.483 0.000 1.441 171 V HN 0.647 nan 8.190 nan 0.000 0.500 172 D N 1.599 122.154 120.400 0.257 0.000 2.388 172 D HA 0.547 5.187 4.640 0.001 0.000 0.254 172 D C 0.392 176.742 176.300 0.083 0.000 1.111 172 D CA -0.657 53.437 54.000 0.157 0.000 0.993 172 D CB 1.328 42.225 40.800 0.161 0.000 1.118 172 D HN 0.267 nan 8.370 nan 0.000 0.502 173 A N 0.392 123.187 122.820 -0.043 0.000 3.175 173 A HA 0.350 4.671 4.320 0.001 0.000 0.289 173 A C 1.147 178.663 177.584 -0.115 0.000 1.429 173 A CA -0.593 51.369 52.037 -0.126 0.000 1.155 173 A CB -0.807 18.032 19.000 -0.268 0.000 1.169 173 A HN 0.463 nan 8.150 nan 0.000 0.574 174 S N 1.824 117.545 115.700 0.035 0.000 2.374 174 S HA -0.283 4.187 4.470 0.001 0.000 0.227 174 S C 2.077 176.746 174.600 0.115 0.000 1.037 174 S CA 1.814 60.072 58.200 0.096 0.000 1.024 174 S CB -0.608 62.660 63.200 0.114 0.000 0.861 174 S HN 0.883 nan 8.310 nan 0.000 0.456 175 M N 2.063 121.738 119.600 0.125 0.000 2.446 175 M HA 0.020 4.501 4.480 0.001 0.000 0.263 175 M C 1.992 178.444 176.300 0.253 0.000 1.066 175 M CA 1.505 56.943 55.300 0.229 0.000 1.087 175 M CB -1.406 31.368 32.600 0.290 0.000 1.406 175 M HN 0.395 nan 8.290 nan 0.000 0.459 176 V N -2.711 117.287 119.914 0.140 0.000 2.788 176 V HA -0.010 4.110 4.120 0.001 0.000 0.241 176 V C 2.096 178.410 176.094 0.367 0.000 1.083 176 V CA 0.306 62.715 62.300 0.182 0.000 1.103 176 V CB -1.125 30.740 31.823 0.070 0.000 0.800 176 V HN 0.215 nan 8.190 nan 0.000 0.476 177 Y N 2.399 122.733 120.300 0.056 0.000 2.301 177 Y HA 0.616 5.166 4.550 0.001 0.000 0.295 177 Y C 1.597 177.527 175.900 0.050 0.000 1.119 177 Y CA 0.231 58.357 58.100 0.043 0.000 1.162 177 Y CB -0.722 37.758 38.460 0.034 0.000 1.046 177 Y HN 0.622 nan 8.280 nan 0.000 0.538 178 G N -0.607 108.317 108.800 0.207 0.000 2.497 178 G HA2 0.070 4.031 3.960 0.001 0.000 0.686 178 G HA3 0.070 4.031 3.960 0.001 0.000 0.686 178 G C 0.048 175.020 174.900 0.119 0.000 1.288 178 G CA -0.170 45.008 45.100 0.131 0.000 0.899 178 G HN 0.513 nan 8.290 nan 0.000 0.608 179 S N -1.054 114.699 115.700 0.089 0.000 2.960 179 S HA 0.592 5.062 4.470 0.001 0.000 0.256 179 S C -0.002 174.636 174.600 0.064 0.000 1.017 179 S CA 0.919 59.169 58.200 0.083 0.000 1.144 179 S CB 0.812 64.063 63.200 0.085 0.000 1.109 179 S HN 1.006 nan 8.310 nan 0.000 0.638 180 E N 0.269 120.503 120.200 0.056 0.000 2.356 180 E HA 0.440 4.790 4.350 0.001 0.000 0.275 180 E C -0.462 176.160 176.600 0.036 0.000 0.904 180 E CA -0.387 56.038 56.400 0.041 0.000 0.757 180 E CB 1.811 31.531 29.700 0.033 0.000 1.232 180 E HN 0.174 nan 8.360 nan 0.000 0.442 181 E N 2.332 122.549 120.200 0.029 0.000 2.474 181 E HA 0.086 4.436 4.350 0.001 0.000 0.195 181 E C -1.441 175.167 176.600 0.014 0.000 1.039 181 E CA -0.532 55.884 56.400 0.026 0.000 0.881 181 E CB 0.276 29.991 29.700 0.024 0.000 0.970 181 E HN 0.346 nan 8.360 nan 0.000 0.486 182 P HA -0.138 nan 4.420 nan 0.000 0.215 182 P C 1.534 178.835 177.300 0.001 0.000 1.157 182 P CA 0.567 63.670 63.100 0.004 0.000 0.856 182 P CB 0.060 31.763 31.700 0.006 0.000 0.786 183 L N 0.651 121.879 121.223 0.009 0.000 1.957 183 L HA -0.254 4.087 4.340 0.001 0.000 0.228 183 L C 2.365 179.238 176.870 0.005 0.000 1.086 183 L CA 2.811 57.657 54.840 0.010 0.000 0.796 183 L CB -1.729 40.341 42.059 0.018 0.000 0.900 183 L HN 0.023 nan 8.230 nan 0.000 0.439 184 A N -0.609 122.220 122.820 0.015 0.000 1.893 184 A HA -0.414 3.906 4.320 0.001 0.000 0.222 184 A C 2.556 180.119 177.584 -0.035 0.000 1.309 184 A CA 3.413 55.458 52.037 0.014 0.000 0.681 184 A CB -1.494 17.530 19.000 0.039 0.000 0.842 184 A HN 0.507 nan 8.150 nan 0.000 0.468 185 R N 0.625 121.096 120.500 -0.049 0.000 2.174 185 R HA -0.171 4.169 4.340 0.001 0.000 0.253 185 R C 1.901 178.153 176.300 -0.080 0.000 1.165 185 R CA 1.820 57.871 56.100 -0.083 0.000 0.984 185 R CB -1.503 28.765 30.300 -0.053 0.000 0.873 185 R HN 0.938 nan 8.270 nan 0.000 0.456 186 N N -0.280 118.391 118.700 -0.047 0.000 2.370 186 N HA -0.049 4.691 4.740 0.001 0.000 0.198 186 N C 0.482 175.970 175.510 -0.036 0.000 1.156 186 N CA 0.548 53.577 53.050 -0.035 0.000 0.839 186 N CB 0.247 38.724 38.487 -0.015 0.000 0.989 186 N HN 0.312 nan 8.380 nan 0.000 0.468 187 L N 0.295 121.482 121.223 -0.061 0.000 2.878 187 L HA 0.284 4.625 4.340 0.001 0.000 0.253 187 L C 0.609 177.424 176.870 -0.091 0.000 1.135 187 L CA 0.019 54.827 54.840 -0.054 0.000 0.943 187 L CB 0.343 42.381 42.059 -0.035 0.000 1.307 187 L HN 0.079 nan 8.230 nan 0.000 0.545 188 R N 0.916 121.328 120.500 -0.146 0.000 2.528 188 R HA 0.344 4.685 4.340 0.001 0.000 0.271 188 R C -0.122 176.112 176.300 -0.111 0.000 1.056 188 R CA -0.552 55.433 56.100 -0.192 0.000 1.117 188 R CB 0.467 30.549 30.300 -0.362 0.000 1.085 188 R HN 0.010 nan 8.270 nan 0.000 0.530 189 N N 3.018 121.669 118.700 -0.080 0.000 2.422 189 N HA 0.090 4.831 4.740 0.001 0.000 0.266 189 N C -0.314 175.162 175.510 -0.056 0.000 1.007 189 N CA -0.269 52.754 53.050 -0.044 0.000 0.941 189 N CB 1.196 39.678 38.487 -0.009 0.000 1.115 189 N HN 0.603 nan 8.380 nan 0.000 0.492 190 M N 2.509 122.079 119.600 -0.050 0.000 2.866 190 M HA 0.124 4.604 4.480 0.001 0.000 0.319 190 M C 0.196 176.480 176.300 -0.027 0.000 1.244 190 M CA -0.279 54.991 55.300 -0.049 0.000 0.974 190 M CB 0.017 32.583 32.600 -0.056 0.000 1.291 190 M HN 0.470 nan 8.290 nan 0.000 0.513 191 S N 0.402 116.093 115.700 -0.016 0.000 2.620 191 S HA 0.105 4.575 4.470 0.001 0.000 0.234 191 S C 0.976 175.575 174.600 -0.002 0.000 1.064 191 S CA -0.000 58.195 58.200 -0.007 0.000 0.920 191 S CB 0.099 63.298 63.200 -0.002 0.000 0.826 191 S HN 0.635 nan 8.310 nan 0.000 0.557 192 N N 1.065 119.766 118.700 0.001 0.000 2.385 192 N HA 0.147 4.887 4.740 0.001 0.000 0.291 192 N C -0.062 175.453 175.510 0.008 0.000 1.298 192 N CA -0.431 52.624 53.050 0.009 0.000 0.955 192 N CB 0.360 38.856 38.487 0.015 0.000 1.096 192 N HN 0.055 nan 8.380 nan 0.000 0.543 193 Q N -0.824 118.989 119.800 0.020 0.000 2.189 193 Q HA 0.230 4.571 4.340 0.001 0.000 0.223 193 Q C -0.574 175.452 176.000 0.043 0.000 0.828 193 Q CA -0.438 55.381 55.803 0.028 0.000 0.967 193 Q CB 0.422 29.183 28.738 0.037 0.000 1.139 193 Q HN 0.432 nan 8.270 nan 0.000 0.497 194 L N 1.556 122.802 121.223 0.038 0.000 2.477 194 L HA 0.145 4.485 4.340 0.001 0.000 0.272 194 L C 0.683 177.586 176.870 0.055 0.000 1.157 194 L CA 0.547 55.416 54.840 0.048 0.000 0.889 194 L CB 0.508 42.588 42.059 0.036 0.000 1.158 194 L HN 0.027 nan 8.230 nan 0.000 0.473 195 G N 5.529 114.381 108.800 0.086 0.000 2.356 195 G HA2 0.454 4.414 3.960 0.001 0.000 0.273 195 G HA3 0.454 4.414 3.960 0.001 0.000 0.273 195 G C -0.906 174.102 174.900 0.179 0.000 1.213 195 G CA -0.097 45.083 45.100 0.132 0.000 0.955 195 G HN 0.430 nan 8.290 nan 0.000 0.454 196 L N 2.299 123.620 121.223 0.164 0.000 2.591 196 L HA 0.338 4.678 4.340 0.001 0.000 0.257 196 L C -0.922 176.009 176.870 0.101 0.000 0.935 196 L CA -1.027 53.936 54.840 0.206 0.000 0.873 196 L CB 2.053 44.172 42.059 0.100 0.000 1.397 196 L HN 0.321 nan 8.230 nan 0.000 0.414 197 L N 2.586 123.904 121.223 0.159 0.000 2.410 197 L HA 0.549 4.889 4.340 0.001 0.000 0.273 197 L C 0.637 177.527 176.870 0.033 0.000 1.152 197 L CA 0.174 55.027 54.840 0.021 0.000 0.855 197 L CB 0.791 42.876 42.059 0.043 0.000 1.129 197 L HN 0.801 nan 8.230 nan 0.000 0.463 198 A N 4.833 127.652 122.820 -0.002 0.000 2.477 198 A HA 0.511 4.831 4.320 0.001 0.000 0.246 198 A C 0.052 177.651 177.584 0.024 0.000 1.078 198 A CA -0.342 51.702 52.037 0.012 0.000 0.770 198 A CB 0.056 19.057 19.000 0.002 0.000 1.011 198 A HN 0.609 nan 8.150 nan 0.000 0.494 199 V N 1.119 121.055 119.914 0.037 0.000 3.193 199 V HA 0.429 4.549 4.120 0.001 0.000 0.320 199 V C 0.692 176.832 176.094 0.076 0.000 1.112 199 V CA -1.496 60.829 62.300 0.041 0.000 1.026 199 V CB 1.033 32.882 31.823 0.043 0.000 1.128 199 V HN 0.843 nan 8.190 nan 0.000 0.452 200 N N 1.100 119.859 118.700 0.099 0.000 2.429 200 N HA -0.026 4.714 4.740 0.001 0.000 0.271 200 N C 1.138 176.755 175.510 0.179 0.000 1.272 200 N CA 0.639 53.807 53.050 0.197 0.000 0.921 200 N CB 1.444 40.086 38.487 0.258 0.000 1.128 200 N HN 0.660 nan 8.380 nan 0.000 0.481 201 Q N 3.092 122.995 119.800 0.172 0.000 2.112 201 Q HA -0.159 4.182 4.340 0.001 0.000 0.206 201 Q C 1.045 177.104 176.000 0.097 0.000 0.987 201 Q CA 2.402 58.270 55.803 0.108 0.000 0.858 201 Q CB -0.328 28.460 28.738 0.082 0.000 0.905 201 Q HN 0.832 nan 8.270 nan 0.000 0.420 202 R N -1.612 118.972 120.500 0.141 0.000 2.640 202 R HA 0.530 4.870 4.340 0.001 0.000 0.240 202 R C -0.759 175.607 176.300 0.109 0.000 1.519 202 R CA -0.216 55.924 56.100 0.066 0.000 1.570 202 R CB -0.040 30.235 30.300 -0.042 0.000 1.446 202 R HN 0.282 nan 8.270 nan 0.000 0.738 203 F N -0.209 119.818 119.950 0.128 0.000 2.409 203 F HA 0.380 4.907 4.527 0.001 0.000 0.375 203 F C 0.267 176.144 175.800 0.129 0.000 1.394 203 F CA -0.183 57.907 58.000 0.149 0.000 1.034 203 F CB 0.707 39.863 39.000 0.259 0.000 1.629 203 F HN 0.667 nan 8.300 nan 0.000 0.484 204 Q N -0.090 119.876 119.800 0.277 0.000 2.199 204 Q HA 0.382 4.722 4.340 0.001 0.000 0.232 204 Q C 0.940 177.025 176.000 0.143 0.000 0.969 204 Q CA 0.377 56.284 55.803 0.175 0.000 0.925 204 Q CB 0.539 29.343 28.738 0.110 0.000 1.198 204 Q HN 0.233 nan 8.270 nan 0.000 0.494 205 D N -0.101 120.346 120.400 0.079 0.000 2.088 205 D HA -0.094 4.546 4.640 0.001 0.000 0.196 205 D C 0.007 176.338 176.300 0.050 0.000 0.983 205 D CA 2.050 56.081 54.000 0.052 0.000 0.846 205 D CB 0.391 41.200 40.800 0.016 0.000 0.992 205 D HN 0.610 nan 8.370 nan 0.000 0.448 206 N N -1.887 116.836 118.700 0.038 0.000 2.527 206 N HA 0.279 5.020 4.740 0.001 0.000 0.279 206 N C -0.254 175.272 175.510 0.028 0.000 1.571 206 N CA 0.648 53.718 53.050 0.033 0.000 0.858 206 N CB 1.253 39.752 38.487 0.021 0.000 1.422 206 N HN 0.256 nan 8.380 nan 0.000 0.491 207 G N 1.007 109.828 108.800 0.035 0.000 2.132 207 G HA2 -0.249 3.712 3.960 0.001 0.000 0.228 207 G HA3 -0.249 3.712 3.960 0.001 0.000 0.228 207 G C -0.187 174.727 174.900 0.023 0.000 1.000 207 G CA -0.370 44.748 45.100 0.030 0.000 0.693 207 G HN 0.256 nan 8.290 nan 0.000 0.515 208 R N -0.113 120.401 120.500 0.023 0.000 2.561 208 R HA 0.694 5.034 4.340 0.001 0.000 0.297 208 R C 0.613 176.920 176.300 0.012 0.000 0.969 208 R CA -0.267 55.840 56.100 0.012 0.000 0.879 208 R CB 1.742 32.044 30.300 0.002 0.000 1.178 208 R HN 0.702 nan 8.270 nan 0.000 0.445 209 A N 3.053 125.877 122.820 0.007 0.000 2.609 209 A HA 0.074 4.395 4.320 0.001 0.000 0.232 209 A C -0.355 177.204 177.584 -0.041 0.000 1.041 209 A CA 0.344 52.380 52.037 -0.001 0.000 0.753 209 A CB 0.117 19.116 19.000 -0.001 0.000 0.966 209 A HN 0.449 nan 8.150 nan 0.000 0.510 210 L N 0.747 121.943 121.223 -0.046 0.000 2.256 210 L HA 0.646 4.986 4.340 0.001 0.000 0.261 210 L C -0.129 176.606 176.870 -0.226 0.000 1.022 210 L CA -0.493 54.253 54.840 -0.157 0.000 0.828 210 L CB 1.476 43.482 42.059 -0.088 0.000 1.374 210 L HN 0.675 nan 8.230 nan 0.000 0.436 211 L N 1.249 122.167 121.223 -0.509 0.000 2.456 211 L HA 0.455 4.796 4.340 0.001 0.000 0.257 211 L C -1.966 174.799 176.870 -0.174 0.000 1.162 211 L CA -1.213 53.392 54.840 -0.391 0.000 0.808 211 L CB -0.543 41.149 42.059 -0.611 0.000 1.136 211 L HN 0.460 nan 8.230 nan 0.000 0.466 212 P HA 0.156 nan 4.420 nan 0.000 0.317 212 P C -1.056 176.285 177.300 0.068 0.000 1.316 212 P CA -0.026 63.130 63.100 0.092 0.000 0.744 212 P CB 0.344 32.096 31.700 0.087 0.000 1.521 213 F N -1.840 118.189 119.950 0.132 0.000 2.565 213 F HA 0.319 4.846 4.527 0.001 0.000 0.313 213 F C 0.554 176.388 175.800 0.056 0.000 1.091 213 F CA -0.419 57.652 58.000 0.118 0.000 0.915 213 F CB 1.474 40.531 39.000 0.095 0.000 1.208 213 F HN 0.070 nan 8.300 nan 0.000 0.453 214 D N 0.947 121.462 120.400 0.191 0.000 2.348 214 D HA 0.262 4.903 4.640 0.001 0.000 0.249 214 D C -0.231 176.129 176.300 0.099 0.000 1.110 214 D CA 0.100 54.160 54.000 0.101 0.000 0.967 214 D CB 1.105 41.919 40.800 0.023 0.000 1.139 214 D HN 0.708 nan 8.370 nan 0.000 0.466 215 N N 1.650 120.376 118.700 0.043 0.000 2.955 215 N HA 0.486 5.227 4.740 0.001 0.000 0.242 215 N C -0.561 174.935 175.510 -0.023 0.000 1.123 215 N CA -0.559 52.495 53.050 0.006 0.000 0.949 215 N CB -0.198 38.290 38.487 0.001 0.000 1.214 215 N HN 0.382 nan 8.380 nan 0.000 0.504 216 L N -2.633 118.571 121.223 -0.031 0.000 2.365 216 L HA 0.586 4.926 4.340 0.001 0.000 0.273 216 L C 0.645 177.495 176.870 -0.033 0.000 1.000 216 L CA -0.830 53.990 54.840 -0.035 0.000 0.819 216 L CB 1.416 43.453 42.059 -0.036 0.000 1.284 216 L HN 0.333 nan 8.230 nan 0.000 0.418 217 H N 1.583 120.624 119.070 -0.050 0.000 2.566 217 H HA 0.166 4.723 4.556 0.001 0.000 0.277 217 H C -0.638 174.655 175.328 -0.059 0.000 1.046 217 H CA 0.696 56.716 56.048 -0.047 0.000 1.172 217 H CB 0.143 29.880 29.762 -0.041 0.000 1.319 217 H HN 0.721 nan 8.280 nan 0.000 0.621 218 D N 0.185 120.613 120.400 0.046 0.000 4.049 218 D HA -0.053 4.588 4.640 0.001 0.000 0.241 218 D C -0.904 175.342 176.300 -0.091 0.000 1.472 218 D CA -0.285 53.708 54.000 -0.011 0.000 0.879 218 D CB -0.186 40.596 40.800 -0.029 0.000 1.386 218 D HN 0.168 nan 8.370 nan 0.000 0.813 219 D N 1.817 122.167 120.400 -0.082 0.000 2.359 219 D HA 0.022 4.663 4.640 0.001 0.000 0.273 219 D C -1.229 174.985 176.300 -0.144 0.000 1.362 219 D CA -1.004 52.923 54.000 -0.121 0.000 1.010 219 D CB 1.456 42.218 40.800 -0.062 0.000 1.090 219 D HN 0.126 nan 8.370 nan 0.000 0.521 220 P HA -0.108 nan 4.420 nan 0.000 0.217 220 P C 1.703 178.962 177.300 -0.069 0.000 1.151 220 P CA 0.607 63.554 63.100 -0.254 0.000 0.828 220 P CB -0.250 31.043 31.700 -0.678 0.000 0.788 221 c N -2.782 115.760 118.600 -0.095 0.000 2.511 221 c HA 0.165 4.735 4.570 0.001 0.000 0.277 221 c C 2.119 176.259 174.090 0.083 0.000 1.451 221 c CA -0.153 56.219 56.329 0.072 0.000 1.735 221 c CB -2.384 40.164 42.510 0.064 0.000 1.704 221 c HN 0.026 nan 8.230 nan 0.000 0.571 222 L N -0.491 120.752 121.223 0.033 0.000 2.463 222 L HA 0.368 4.708 4.340 0.001 0.000 0.219 222 L C 2.060 178.947 176.870 0.027 0.000 1.088 222 L CA 1.057 55.917 54.840 0.033 0.000 0.849 222 L CB -0.571 41.491 42.059 0.005 0.000 1.012 222 L HN 0.174 nan 8.230 nan 0.000 0.468 223 L N -0.897 120.346 121.223 0.034 0.000 2.551 223 L HA -0.011 4.329 4.340 0.001 0.000 0.228 223 L C 2.104 179.007 176.870 0.056 0.000 1.153 223 L CA 1.272 56.133 54.840 0.034 0.000 0.851 223 L CB -1.214 40.874 42.059 0.048 0.000 0.959 223 L HN 0.177 nan 8.230 nan 0.000 0.451 224 T N -1.261 113.351 114.554 0.097 0.000 2.937 224 T HA -0.027 4.324 4.350 0.001 0.000 0.260 224 T C 1.063 175.752 174.700 -0.017 0.000 1.051 224 T CA 0.687 62.864 62.100 0.128 0.000 1.141 224 T CB -0.055 68.999 68.868 0.309 0.000 0.879 224 T HN 0.270 nan 8.240 nan 0.000 0.459 225 N N 0.182 118.808 118.700 -0.124 0.000 2.675 225 N HA 0.275 5.015 4.740 0.001 0.000 0.254 225 N C 1.283 176.686 175.510 -0.178 0.000 1.224 225 N CA -0.068 52.799 53.050 -0.304 0.000 0.777 225 N CB 0.651 38.651 38.487 -0.812 0.000 1.256 225 N HN 0.095 nan 8.380 nan 0.000 0.531 226 R N 1.120 121.553 120.500 -0.112 0.000 2.159 226 R HA -0.268 4.072 4.340 0.001 0.000 0.252 226 R C 2.252 178.506 176.300 -0.076 0.000 1.144 226 R CA 2.882 58.938 56.100 -0.072 0.000 0.961 226 R CB -1.960 28.308 30.300 -0.053 0.000 0.877 226 R HN 0.749 nan 8.270 nan 0.000 0.444 227 S N 0.350 115.986 115.700 -0.106 0.000 2.359 227 S HA 0.130 4.601 4.470 0.001 0.000 0.223 227 S C 1.579 176.135 174.600 -0.073 0.000 1.039 227 S CA 0.680 58.823 58.200 -0.095 0.000 1.042 227 S CB -0.711 62.402 63.200 -0.144 0.000 0.915 227 S HN 1.296 nan 8.310 nan 0.000 0.439 228 A N 2.550 125.307 122.820 -0.105 0.000 2.354 228 A HA 0.528 4.849 4.320 0.001 0.000 0.269 228 A C 0.604 178.208 177.584 0.033 0.000 1.109 228 A CA -0.836 51.188 52.037 -0.021 0.000 0.800 228 A CB 0.150 19.125 19.000 -0.042 0.000 1.045 228 A HN 0.612 nan 8.150 nan 0.000 0.489 229 R N 2.667 123.229 120.500 0.103 0.000 2.825 229 R HA 0.377 4.717 4.340 0.001 0.000 0.261 229 R C -1.086 175.274 176.300 0.100 0.000 1.341 229 R CA -0.274 55.869 56.100 0.071 0.000 1.353 229 R CB -0.126 30.199 30.300 0.041 0.000 1.191 229 R HN 0.418 nan 8.270 nan 0.000 0.590 230 I N 3.022 123.675 120.570 0.138 0.000 2.388 230 I HA 0.394 4.564 4.170 0.001 0.000 0.281 230 I C -2.522 173.735 176.117 0.232 0.000 1.046 230 I CA -2.984 58.455 61.300 0.231 0.000 1.187 230 I CB 0.708 38.795 38.000 0.146 0.000 1.351 230 I HN 0.325 nan 8.210 nan 0.000 0.472 231 P HA 0.274 nan 4.420 nan 0.000 0.293 231 P C -0.164 177.087 177.300 -0.080 0.000 1.304 231 P CA -0.481 62.752 63.100 0.223 0.000 0.767 231 P CB 0.667 32.514 31.700 0.245 0.000 1.247 232 c N -0.099 118.420 118.600 -0.135 0.000 2.676 232 c HA 0.255 4.825 4.570 0.001 0.000 0.416 232 c C 0.388 174.285 174.090 -0.322 0.000 1.299 232 c CA 0.113 56.261 56.329 -0.302 0.000 2.048 232 c CB -1.682 40.708 42.510 -0.200 0.000 2.713 232 c HN 0.303 nan 8.230 nan 0.000 0.624 233 F N 2.537 122.360 119.950 -0.212 0.000 2.427 233 F HA 0.432 4.959 4.527 0.001 0.000 0.352 233 F C 0.416 176.109 175.800 -0.179 0.000 1.100 233 F CA -0.682 57.146 58.000 -0.287 0.000 1.191 233 F CB 0.224 39.066 39.000 -0.263 0.000 1.128 233 F HN 0.409 nan 8.300 nan 0.000 0.533 234 L N 3.318 124.580 121.223 0.065 0.000 2.417 234 L HA 0.694 5.034 4.340 0.001 0.000 0.268 234 L C -0.120 176.735 176.870 -0.024 0.000 1.158 234 L CA 0.287 55.138 54.840 0.019 0.000 0.819 234 L CB 0.505 42.586 42.059 0.036 0.000 1.112 234 L HN 0.843 nan 8.230 nan 0.000 0.458 235 A N 2.712 125.498 122.820 -0.058 0.000 2.441 235 A HA 0.442 4.762 4.320 0.001 0.000 0.295 235 A C 0.613 178.147 177.584 -0.084 0.000 0.992 235 A CA -0.216 51.757 52.037 -0.106 0.000 0.603 235 A CB -0.686 18.152 19.000 -0.269 0.000 1.385 235 A HN 1.035 nan 8.150 nan 0.000 0.470 236 G N -0.431 108.344 108.800 -0.042 0.000 2.663 236 G HA2 -0.098 3.863 3.960 0.001 0.000 0.222 236 G HA3 -0.098 3.863 3.960 0.001 0.000 0.222 236 G C 0.402 175.327 174.900 0.043 0.000 1.146 236 G CA 2.148 47.275 45.100 0.045 0.000 0.764 236 G HN 0.974 nan 8.290 nan 0.000 0.608 237 D N -1.889 118.517 120.400 0.010 0.000 2.248 237 D HA 0.465 5.106 4.640 0.001 0.000 0.246 237 D C 1.566 177.868 176.300 0.003 0.000 1.027 237 D CA -0.052 53.979 54.000 0.051 0.000 0.853 237 D CB 1.507 42.392 40.800 0.142 0.000 1.243 237 D HN -0.001 nan 8.370 nan 0.000 0.462 238 T N 1.075 115.642 114.554 0.022 0.000 3.051 238 T HA -0.099 4.251 4.350 0.001 0.000 0.269 238 T C 0.938 175.651 174.700 0.022 0.000 1.127 238 T CA 0.606 62.708 62.100 0.003 0.000 1.107 238 T CB -0.234 68.633 68.868 -0.001 0.000 0.898 238 T HN 0.477 nan 8.240 nan 0.000 0.517 239 R N 1.169 121.713 120.500 0.074 0.000 2.886 239 R HA 0.451 4.792 4.340 0.001 0.000 0.306 239 R C 0.481 176.891 176.300 0.183 0.000 1.300 239 R CA -0.249 55.934 56.100 0.139 0.000 1.441 239 R CB 0.067 30.460 30.300 0.155 0.000 1.328 239 R HN 0.254 nan 8.270 nan 0.000 0.629 240 S N -1.311 114.486 115.700 0.162 0.000 2.575 240 S HA 0.144 4.614 4.470 0.001 0.000 0.237 240 S C 0.643 175.386 174.600 0.239 0.000 0.975 240 S CA -0.382 57.967 58.200 0.250 0.000 0.960 240 S CB 0.618 63.820 63.200 0.003 0.000 0.822 240 S HN 0.272 nan 8.310 nan 0.000 0.472 241 S N 0.953 116.782 115.700 0.215 0.000 2.603 241 S HA 0.247 4.717 4.470 0.001 0.000 0.232 241 S C 1.470 176.194 174.600 0.206 0.000 1.016 241 S CA -0.447 57.874 58.200 0.202 0.000 0.976 241 S CB 0.061 63.341 63.200 0.134 0.000 0.921 241 S HN 0.470 nan 8.310 nan 0.000 0.516 242 E N 1.340 121.625 120.200 0.142 0.000 2.055 242 E HA -0.141 4.209 4.350 0.001 0.000 0.209 242 E C -0.002 176.398 176.600 -0.333 0.000 1.036 242 E CA 1.234 57.538 56.400 -0.159 0.000 0.849 242 E CB 0.046 29.707 29.700 -0.066 0.000 0.767 242 E HN 0.425 nan 8.360 nan 0.000 0.461 243 M N -0.644 118.830 119.600 -0.210 0.000 2.321 243 M HA 0.189 4.670 4.480 0.001 0.000 0.315 243 M C -2.023 174.218 176.300 -0.098 0.000 1.052 243 M CA -1.865 53.291 55.300 -0.240 0.000 0.936 243 M CB 2.346 34.797 32.600 -0.247 0.000 1.639 243 M HN -0.227 nan 8.290 nan 0.000 0.433 244 P HA -0.198 nan 4.420 nan 0.000 0.221 244 P C 0.670 177.955 177.300 -0.025 0.000 1.145 244 P CA 1.239 64.315 63.100 -0.039 0.000 0.795 244 P CB -0.118 31.526 31.700 -0.094 0.000 0.775 245 E N -0.721 119.447 120.200 -0.053 0.000 2.427 245 E HA -0.086 4.264 4.350 0.001 0.000 0.196 245 E C 1.653 178.231 176.600 -0.037 0.000 1.028 245 E CA 0.565 56.943 56.400 -0.037 0.000 0.864 245 E CB -0.754 28.928 29.700 -0.029 0.000 0.813 245 E HN 0.232 nan 8.360 nan 0.000 0.514 246 L N 1.293 122.498 121.223 -0.030 0.000 2.253 246 L HA 0.064 4.405 4.340 0.001 0.000 0.205 246 L C 2.423 179.328 176.870 0.058 0.000 1.078 246 L CA 1.675 56.504 54.840 -0.020 0.000 0.805 246 L CB -0.402 41.656 42.059 -0.002 0.000 0.963 246 L HN 0.094 nan 8.230 nan 0.000 0.459 247 T N -2.008 112.625 114.554 0.132 0.000 2.788 247 T HA -0.199 4.151 4.350 0.001 0.000 0.268 247 T C 2.192 176.937 174.700 0.076 0.000 1.044 247 T CA 1.802 64.037 62.100 0.226 0.000 1.139 247 T CB -0.386 68.703 68.868 0.369 0.000 0.867 247 T HN 0.472 nan 8.240 nan 0.000 0.454 248 S N 0.228 115.939 115.700 0.018 0.000 2.374 248 S HA -0.149 4.321 4.470 0.001 0.000 0.227 248 S C 2.227 176.801 174.600 -0.043 0.000 1.037 248 S CA 1.767 59.947 58.200 -0.033 0.000 1.024 248 S CB -0.462 62.722 63.200 -0.028 0.000 0.861 248 S HN 0.558 nan 8.310 nan 0.000 0.456 249 M N 0.373 119.940 119.600 -0.055 0.000 2.099 249 M HA -0.078 4.403 4.480 0.001 0.000 0.262 249 M C 2.168 178.421 176.300 -0.079 0.000 1.067 249 M CA 1.428 56.675 55.300 -0.088 0.000 1.124 249 M CB -1.436 31.081 32.600 -0.139 0.000 1.353 249 M HN 0.458 nan 8.290 nan 0.000 0.410 250 H N -0.300 118.743 119.070 -0.044 0.000 2.390 250 H HA -0.143 4.414 4.556 0.001 0.000 0.298 250 H C 2.323 177.606 175.328 -0.074 0.000 1.106 250 H CA 2.172 58.193 56.048 -0.045 0.000 1.297 250 H CB -0.578 29.162 29.762 -0.037 0.000 1.375 250 H HN 0.415 nan 8.280 nan 0.000 0.509 251 T N 0.408 114.962 114.554 0.000 0.000 2.643 251 T HA -0.152 4.199 4.350 0.001 0.000 0.264 251 T C 2.289 176.973 174.700 -0.025 0.000 1.045 251 T CA 1.382 63.439 62.100 -0.071 0.000 1.155 251 T CB -0.556 68.210 68.868 -0.171 0.000 0.863 251 T HN 0.194 nan 8.240 nan 0.000 0.420 252 L N 0.281 121.487 121.223 -0.028 0.000 2.089 252 L HA -0.068 4.272 4.340 0.001 0.000 0.213 252 L C 2.267 179.136 176.870 -0.002 0.000 1.079 252 L CA 1.757 56.584 54.840 -0.022 0.000 0.758 252 L CB -0.370 41.668 42.059 -0.035 0.000 0.891 252 L HN 0.376 nan 8.230 nan 0.000 0.433 253 L N -1.849 119.381 121.223 0.011 0.000 2.270 253 L HA -0.064 4.276 4.340 0.001 0.000 0.210 253 L C 2.170 179.104 176.870 0.108 0.000 1.104 253 L CA 0.649 55.510 54.840 0.034 0.000 0.804 253 L CB -0.517 41.535 42.059 -0.012 0.000 0.937 253 L HN 0.299 nan 8.230 nan 0.000 0.450 254 L N -0.480 120.802 121.223 0.100 0.000 2.083 254 L HA -0.166 4.174 4.340 0.001 0.000 0.209 254 L C 2.680 179.631 176.870 0.136 0.000 1.083 254 L CA 1.447 56.364 54.840 0.129 0.000 0.752 254 L CB -0.191 41.899 42.059 0.051 0.000 0.899 254 L HN 0.051 nan 8.230 nan 0.000 0.433 255 R N 0.203 120.747 120.500 0.074 0.000 2.092 255 R HA -0.210 4.131 4.340 0.001 0.000 0.226 255 R C 2.301 178.638 176.300 0.062 0.000 1.140 255 R CA 1.808 57.940 56.100 0.053 0.000 0.910 255 R CB -0.690 29.618 30.300 0.013 0.000 0.822 255 R HN 0.408 nan 8.270 nan 0.000 0.433 256 E N -0.365 119.860 120.200 0.042 0.000 2.253 256 E HA -0.282 4.068 4.350 0.001 0.000 0.202 256 E C 1.740 178.360 176.600 0.033 0.000 1.014 256 E CA 1.625 58.033 56.400 0.014 0.000 0.823 256 E CB -0.198 29.493 29.700 -0.014 0.000 0.736 256 E HN 0.412 nan 8.360 nan 0.000 0.478 257 H N 0.079 119.195 119.070 0.077 0.000 2.307 257 H HA 0.023 4.579 4.556 0.001 0.000 0.303 257 H C 1.593 176.963 175.328 0.071 0.000 1.073 257 H CA 1.800 57.923 56.048 0.124 0.000 1.338 257 H CB -0.145 29.771 29.762 0.257 0.000 1.389 257 H HN 0.292 nan 8.280 nan 0.000 0.503 258 N N 0.284 119.069 118.700 0.141 0.000 2.364 258 N HA -0.123 4.618 4.740 0.001 0.000 0.183 258 N C 2.254 177.740 175.510 -0.039 0.000 1.022 258 N CA 0.180 53.274 53.050 0.074 0.000 0.883 258 N CB 0.207 38.754 38.487 0.099 0.000 0.965 258 N HN 0.346 nan 8.380 nan 0.000 0.438 259 R N 0.938 121.406 120.500 -0.053 0.000 2.057 259 R HA -0.033 4.308 4.340 0.001 0.000 0.224 259 R C 1.765 177.994 176.300 -0.118 0.000 1.136 259 R CA 0.709 56.768 56.100 -0.070 0.000 0.968 259 R CB -0.337 29.933 30.300 -0.050 0.000 0.863 259 R HN 0.047 nan 8.270 nan 0.000 0.433 260 L N 1.749 122.871 121.223 -0.168 0.000 2.043 260 L HA -0.117 4.224 4.340 0.001 0.000 0.212 260 L C 2.756 179.514 176.870 -0.187 0.000 1.075 260 L CA 2.117 56.831 54.840 -0.209 0.000 0.752 260 L CB -1.357 40.550 42.059 -0.254 0.000 0.891 260 L HN 0.336 nan 8.230 nan 0.000 0.432 261 A N -1.661 121.014 122.820 -0.242 0.000 1.917 261 A HA -0.276 4.045 4.320 0.001 0.000 0.219 261 A C 2.431 179.985 177.584 -0.049 0.000 1.182 261 A CA 2.532 54.472 52.037 -0.161 0.000 0.633 261 A CB -1.053 17.806 19.000 -0.235 0.000 0.819 261 A HN 0.433 nan 8.150 nan 0.000 0.448 262 T N -0.987 113.529 114.554 -0.064 0.000 2.588 262 T HA -0.150 4.201 4.350 0.001 0.000 0.261 262 T C 1.894 176.580 174.700 -0.023 0.000 1.069 262 T CA 1.788 63.872 62.100 -0.027 0.000 1.172 262 T CB -0.278 68.573 68.868 -0.029 0.000 0.863 262 T HN 0.638 nan 8.240 nan 0.000 0.408 263 E N 0.040 120.211 120.200 -0.048 0.000 2.171 263 E HA -0.126 4.225 4.350 0.001 0.000 0.197 263 E C 1.917 178.496 176.600 -0.035 0.000 0.997 263 E CA 0.696 57.066 56.400 -0.051 0.000 0.810 263 E CB -0.111 29.541 29.700 -0.079 0.000 0.738 263 E HN 0.165 nan 8.360 nan 0.000 0.467 264 L N 0.468 121.683 121.223 -0.013 0.000 2.156 264 L HA -0.107 4.234 4.340 0.001 0.000 0.208 264 L C 2.129 179.049 176.870 0.083 0.000 1.095 264 L CA 1.543 56.427 54.840 0.074 0.000 0.770 264 L CB -0.835 41.358 42.059 0.223 0.000 0.914 264 L HN 0.045 nan 8.230 nan 0.000 0.439 265 K N -0.116 120.329 120.400 0.075 0.000 2.209 265 K HA -0.144 4.176 4.320 0.001 0.000 0.204 265 K C 2.232 178.833 176.600 0.002 0.000 1.048 265 K CA 1.399 57.726 56.287 0.067 0.000 0.940 265 K CB -0.049 32.486 32.500 0.058 0.000 0.729 265 K HN 0.337 nan 8.250 nan 0.000 0.451 266 S N -0.048 115.642 115.700 -0.017 0.000 2.461 266 S HA -0.073 4.397 4.470 0.001 0.000 0.228 266 S C 1.700 176.259 174.600 -0.068 0.000 1.005 266 S CA 0.700 58.877 58.200 -0.038 0.000 0.942 266 S CB -0.311 62.869 63.200 -0.034 0.000 0.776 266 S HN 0.452 nan 8.310 nan 0.000 0.514 267 L N -0.341 120.826 121.223 -0.094 0.000 2.556 267 L HA 0.588 4.928 4.340 0.001 0.000 0.226 267 L C -0.932 175.770 176.870 -0.279 0.000 1.089 267 L CA -0.086 54.671 54.840 -0.138 0.000 0.864 267 L CB -0.366 41.641 42.059 -0.087 0.000 1.067 267 L HN 0.117 nan 8.230 nan 0.000 0.477 268 N N -0.396 118.074 118.700 -0.384 0.000 2.571 268 N HA 0.397 5.137 4.740 0.001 0.000 0.286 268 N C -2.576 172.735 175.510 -0.332 0.000 1.138 268 N CA -1.137 51.520 53.050 -0.655 0.000 0.859 268 N CB 1.773 39.169 38.487 -1.820 0.000 1.414 268 N HN -0.194 nan 8.380 nan 0.000 0.529 269 P HA -0.026 nan 4.420 nan 0.000 0.211 269 P C 1.193 178.516 177.300 0.038 0.000 1.188 269 P CA 0.607 63.680 63.100 -0.044 0.000 0.904 269 P CB 0.356 32.033 31.700 -0.037 0.000 0.765 270 R N -1.299 119.213 120.500 0.021 0.000 2.407 270 R HA -0.159 4.182 4.340 0.001 0.000 0.241 270 R C -0.048 176.389 176.300 0.228 0.000 1.180 270 R CA 0.411 56.568 56.100 0.095 0.000 1.048 270 R CB -0.480 29.863 30.300 0.071 0.000 0.847 270 R HN 0.148 nan 8.270 nan 0.000 0.488 271 W N 2.976 124.302 121.300 0.042 0.000 2.489 271 W HA -0.040 4.621 4.660 0.001 0.000 0.327 271 W C 0.425 176.977 176.519 0.054 0.000 1.436 271 W CA -1.123 56.255 57.345 0.055 0.000 1.315 271 W CB -0.235 29.264 29.460 0.066 0.000 1.373 271 W HN 0.267 nan 8.180 nan 0.000 0.557 272 D N 1.232 121.761 120.400 0.215 0.000 2.325 272 D HA 0.079 4.720 4.640 0.001 0.000 0.262 272 D C 1.395 177.761 176.300 0.110 0.000 1.263 272 D CA 0.235 54.313 54.000 0.130 0.000 1.020 272 D CB -0.179 40.671 40.800 0.083 0.000 1.117 272 D HN 0.388 nan 8.370 nan 0.000 0.545 273 G N -0.705 108.141 108.800 0.077 0.000 2.464 273 G HA2 -0.237 3.724 3.960 0.001 0.000 0.214 273 G HA3 -0.237 3.724 3.960 0.001 0.000 0.214 273 G C 1.368 176.325 174.900 0.095 0.000 1.218 273 G CA 0.359 45.500 45.100 0.069 0.000 0.794 273 G HN 0.520 nan 8.290 nan 0.000 0.542 274 E N 0.473 120.715 120.200 0.070 0.000 2.097 274 E HA -0.192 4.158 4.350 0.001 0.000 0.196 274 E C 2.577 179.260 176.600 0.138 0.000 1.000 274 E CA 1.281 57.767 56.400 0.142 0.000 0.804 274 E CB -0.172 29.577 29.700 0.082 0.000 0.740 274 E HN 0.599 nan 8.360 nan 0.000 0.454 275 R N 0.428 120.935 120.500 0.012 0.000 2.235 275 R HA -0.064 4.276 4.340 0.001 0.000 0.213 275 R C 2.010 178.210 176.300 -0.168 0.000 1.059 275 R CA 0.605 56.621 56.100 -0.140 0.000 0.997 275 R CB -0.117 29.999 30.300 -0.307 0.000 0.884 275 R HN 0.046 nan 8.270 nan 0.000 0.462 276 L N 0.444 121.676 121.223 0.015 0.000 2.446 276 L HA 0.056 4.397 4.340 0.001 0.000 0.219 276 L C 1.542 178.485 176.870 0.121 0.000 1.116 276 L CA 1.021 55.910 54.840 0.082 0.000 0.844 276 L CB -0.339 41.828 42.059 0.179 0.000 0.970 276 L HN 0.331 nan 8.230 nan 0.000 0.457 277 Y N -0.986 119.330 120.300 0.026 0.000 2.353 277 Y HA -0.021 4.529 4.550 0.001 0.000 0.294 277 Y C 2.429 178.399 175.900 0.116 0.000 1.135 277 Y CA 1.038 59.216 58.100 0.130 0.000 1.176 277 Y CB -0.146 38.369 38.460 0.092 0.000 1.124 277 Y HN 0.127 nan 8.280 nan 0.000 0.537 278 Q N 0.771 120.464 119.800 -0.179 0.000 2.112 278 Q HA -0.204 4.136 4.340 0.001 0.000 0.206 278 Q C 2.151 178.093 176.000 -0.097 0.000 0.987 278 Q CA 2.255 57.886 55.803 -0.287 0.000 0.858 278 Q CB -0.074 28.603 28.738 -0.101 0.000 0.905 278 Q HN 0.469 nan 8.270 nan 0.000 0.420 279 E N -0.290 119.895 120.200 -0.025 0.000 2.051 279 E HA -0.194 4.157 4.350 0.001 0.000 0.192 279 E C 1.916 178.622 176.600 0.176 0.000 0.991 279 E CA 1.245 57.729 56.400 0.140 0.000 0.799 279 E CB -0.335 29.417 29.700 0.087 0.000 0.748 279 E HN 0.416 nan 8.360 nan 0.000 0.449 280 A N 1.408 124.250 122.820 0.037 0.000 1.902 280 A HA -0.218 4.102 4.320 0.001 0.000 0.217 280 A C 2.217 179.920 177.584 0.197 0.000 1.181 280 A CA 1.866 53.902 52.037 -0.002 0.000 0.623 280 A CB -0.547 18.319 19.000 -0.224 0.000 0.818 280 A HN 0.193 nan 8.150 nan 0.000 0.443 281 R N -0.224 120.396 120.500 0.200 0.000 2.105 281 R HA -0.166 4.174 4.340 0.001 0.000 0.239 281 R C 2.118 178.615 176.300 0.329 0.000 1.135 281 R CA 1.996 58.378 56.100 0.470 0.000 0.967 281 R CB -0.257 30.044 30.300 0.001 0.000 0.861 281 R HN 0.505 nan 8.270 nan 0.000 0.442 282 K N 0.350 120.916 120.400 0.277 0.000 2.001 282 K HA -0.055 4.266 4.320 0.001 0.000 0.208 282 K C 2.027 178.924 176.600 0.496 0.000 1.048 282 K CA 1.720 58.234 56.287 0.378 0.000 0.932 282 K CB -0.069 32.783 32.500 0.587 0.000 0.715 282 K HN 0.173 nan 8.250 nan 0.000 0.437 283 I N 0.785 121.613 120.570 0.430 0.000 2.315 283 I HA -0.259 3.911 4.170 0.001 0.000 0.251 283 I C 2.329 178.493 176.117 0.078 0.000 1.125 283 I CA 1.143 62.542 61.300 0.166 0.000 1.392 283 I CB -0.470 37.438 38.000 -0.153 0.000 1.065 283 I HN 0.180 nan 8.210 nan 0.000 0.424 284 V N 1.169 121.146 119.914 0.105 0.000 2.273 284 V HA -0.025 4.095 4.120 0.001 0.000 0.242 284 V C 2.415 178.490 176.094 -0.032 0.000 1.035 284 V CA 2.012 64.317 62.300 0.007 0.000 1.013 284 V CB -0.849 30.972 31.823 -0.003 0.000 0.652 284 V HN 0.390 nan 8.190 nan 0.000 0.452 285 G N -0.553 108.232 108.800 -0.025 0.000 2.532 285 G HA2 -0.259 3.702 3.960 0.001 0.000 0.222 285 G HA3 -0.259 3.702 3.960 0.001 0.000 0.222 285 G C 1.675 176.590 174.900 0.025 0.000 1.102 285 G CA 1.340 46.439 45.100 -0.003 0.000 0.742 285 G HN 0.923 nan 8.290 nan 0.000 0.577 286 A N 0.991 123.837 122.820 0.043 0.000 1.897 286 A HA 0.069 4.390 4.320 0.001 0.000 0.215 286 A C 2.471 179.919 177.584 -0.227 0.000 1.181 286 A CA 1.720 53.731 52.037 -0.045 0.000 0.620 286 A CB -0.310 18.797 19.000 0.179 0.000 0.821 286 A HN 0.383 nan 8.150 nan 0.000 0.443 287 M N 0.040 119.549 119.600 -0.151 0.000 2.117 287 M HA -0.088 4.393 4.480 0.001 0.000 0.262 287 M C 2.159 178.390 176.300 -0.116 0.000 1.065 287 M CA 1.893 57.088 55.300 -0.174 0.000 1.114 287 M CB -1.218 31.302 32.600 -0.133 0.000 1.361 287 M HN 0.371 nan 8.290 nan 0.000 0.408 288 V N -0.128 119.753 119.914 -0.055 0.000 2.809 288 V HA -0.201 3.920 4.120 0.001 0.000 0.256 288 V C 2.029 178.178 176.094 0.092 0.000 1.080 288 V CA 1.676 63.986 62.300 0.017 0.000 1.102 288 V CB -0.495 31.337 31.823 0.013 0.000 0.705 288 V HN 0.539 nan 8.190 nan 0.000 0.475 289 Q N -0.229 119.606 119.800 0.058 0.000 2.033 289 Q HA 0.000 4.341 4.340 0.001 0.000 0.196 289 Q C 2.254 178.363 176.000 0.181 0.000 0.970 289 Q CA 2.026 57.935 55.803 0.176 0.000 0.828 289 Q CB -0.153 28.580 28.738 -0.009 0.000 0.895 289 Q HN 0.762 nan 8.270 nan 0.000 0.440 290 I N 0.169 120.650 120.570 -0.148 0.000 2.286 290 I HA -0.232 3.938 4.170 0.001 0.000 0.248 290 I C 1.990 178.132 176.117 0.042 0.000 1.115 290 I CA 1.032 62.229 61.300 -0.172 0.000 1.392 290 I CB 0.126 37.697 38.000 -0.714 0.000 1.065 290 I HN 0.231 nan 8.210 nan 0.000 0.418 291 I N -0.680 119.909 120.570 0.032 0.000 3.251 291 I HA -0.150 4.020 4.170 0.001 0.000 0.277 291 I C 1.930 178.179 176.117 0.220 0.000 1.268 291 I CA 0.982 62.348 61.300 0.110 0.000 1.449 291 I CB 0.062 38.118 38.000 0.094 0.000 1.083 291 I HN 0.198 nan 8.210 nan 0.000 0.464 292 T N -1.544 113.137 114.554 0.212 0.000 3.015 292 T HA 0.046 4.396 4.350 0.001 0.000 0.250 292 T C 1.177 175.861 174.700 -0.027 0.000 1.057 292 T CA 0.601 62.788 62.100 0.145 0.000 1.066 292 T CB -0.031 68.913 68.868 0.126 0.000 0.959 292 T HN 0.344 nan 8.240 nan 0.000 0.488 293 Y N 0.897 121.312 120.300 0.192 0.000 2.497 293 Y HA 0.378 4.928 4.550 0.001 0.000 0.265 293 Y C 2.362 178.376 175.900 0.191 0.000 1.111 293 Y CA 0.286 58.517 58.100 0.219 0.000 1.288 293 Y CB 0.295 39.062 38.460 0.513 0.000 1.082 293 Y HN 0.101 nan 8.280 nan 0.000 0.536 294 R N 0.379 121.070 120.500 0.318 0.000 2.084 294 R HA -0.009 4.332 4.340 0.001 0.000 0.209 294 R C 0.388 176.805 176.300 0.195 0.000 1.173 294 R CA 1.547 57.792 56.100 0.242 0.000 1.053 294 R CB -0.208 30.220 30.300 0.213 0.000 0.948 294 R HN 0.217 nan 8.270 nan 0.000 0.460 295 D N -0.551 119.985 120.400 0.227 0.000 2.368 295 D HA 0.005 4.646 4.640 0.001 0.000 0.218 295 D C 0.725 177.327 176.300 0.504 0.000 1.112 295 D CA -0.112 54.054 54.000 0.278 0.000 0.834 295 D CB 0.267 41.164 40.800 0.161 0.000 0.953 295 D HN 0.326 nan 8.370 nan 0.000 0.505 296 Y N 0.307 120.724 120.300 0.195 0.000 2.817 296 Y HA 0.248 4.799 4.550 0.001 0.000 0.257 296 Y C 1.444 177.296 175.900 -0.080 0.000 1.055 296 Y CA -0.058 58.039 58.100 -0.006 0.000 1.319 296 Y CB -0.518 37.760 38.460 -0.304 0.000 1.481 296 Y HN -0.118 nan 8.280 nan 0.000 0.471 297 L N 2.131 123.094 121.223 -0.434 0.000 2.051 297 L HA -0.136 4.204 4.340 0.001 0.000 0.214 297 L C -0.930 175.782 176.870 -0.263 0.000 1.076 297 L CA 2.378 56.895 54.840 -0.538 0.000 0.758 297 L CB -1.805 39.919 42.059 -0.557 0.000 0.890 297 L HN 0.238 nan 8.230 nan 0.000 0.433 298 P HA -0.075 nan 4.420 nan 0.000 0.237 298 P C 1.403 178.700 177.300 -0.005 0.000 1.178 298 P CA 0.804 63.892 63.100 -0.019 0.000 0.766 298 P CB 0.193 31.919 31.700 0.042 0.000 0.876 299 L N -1.436 119.780 121.223 -0.010 0.000 2.515 299 L HA 0.133 4.474 4.340 0.001 0.000 0.223 299 L C 1.805 178.671 176.870 -0.007 0.000 1.079 299 L CA 0.858 55.718 54.840 0.033 0.000 0.857 299 L CB -1.068 41.064 42.059 0.121 0.000 1.050 299 L HN -0.104 nan 8.230 nan 0.000 0.476 300 V N -0.912 118.934 119.914 -0.114 0.000 3.342 300 V HA 0.203 4.323 4.120 0.001 0.000 0.322 300 V C 0.885 176.875 176.094 -0.174 0.000 1.370 300 V CA 0.421 62.634 62.300 -0.144 0.000 1.170 300 V CB 0.647 32.258 31.823 -0.353 0.000 1.101 300 V HN 0.296 nan 8.190 nan 0.000 0.442 301 L N -0.153 121.001 121.223 -0.114 0.000 3.174 301 L HA 0.759 5.100 4.340 0.001 0.000 0.313 301 L C 0.623 177.482 176.870 -0.019 0.000 1.021 301 L CA 1.215 56.005 54.840 -0.083 0.000 1.269 301 L CB 0.643 42.655 42.059 -0.077 0.000 2.173 301 L HN 0.493 nan 8.230 nan 0.000 0.591 302 G N -0.579 108.217 108.800 -0.007 0.000 2.331 302 G HA2 0.081 4.041 3.960 0.001 0.000 0.402 302 G HA3 0.081 4.041 3.960 0.001 0.000 0.402 302 G C -2.843 172.075 174.900 0.029 0.000 1.275 302 G CA -0.119 44.992 45.100 0.019 0.000 1.003 302 G HN -0.059 nan 8.290 nan 0.000 0.500 303 P HA 0.112 nan 4.420 nan 0.000 0.200 303 P C 2.035 179.358 177.300 0.039 0.000 1.109 303 P CA 2.872 65.993 63.100 0.035 0.000 0.908 303 P CB -0.303 31.415 31.700 0.029 0.000 0.746 304 T N 0.367 114.939 114.554 0.030 0.000 2.527 304 T HA -0.349 4.002 4.350 0.001 0.000 0.258 304 T C 1.837 176.557 174.700 0.034 0.000 1.175 304 T CA 3.326 65.438 62.100 0.021 0.000 1.168 304 T CB -1.372 67.508 68.868 0.020 0.000 0.860 304 T HN 0.066 nan 8.240 nan 0.000 0.429 305 A N 1.104 123.981 122.820 0.095 0.000 1.929 305 A HA -0.228 4.093 4.320 0.001 0.000 0.221 305 A C 2.555 180.300 177.584 0.268 0.000 1.211 305 A CA 2.989 55.178 52.037 0.255 0.000 0.657 305 A CB -1.146 18.013 19.000 0.264 0.000 0.827 305 A HN 0.740 nan 8.150 nan 0.000 0.462 306 M N -0.530 119.163 119.600 0.156 0.000 2.149 306 M HA -0.169 4.311 4.480 0.001 0.000 0.261 306 M C 2.305 178.646 176.300 0.068 0.000 1.064 306 M CA 2.348 57.722 55.300 0.124 0.000 1.102 306 M CB -0.296 32.353 32.600 0.082 0.000 1.369 306 M HN 0.464 nan 8.290 nan 0.000 0.408 307 R N 0.100 120.608 120.500 0.014 0.000 2.275 307 R HA 0.036 4.376 4.340 0.001 0.000 0.199 307 R C 1.890 178.127 176.300 -0.105 0.000 0.989 307 R CA 1.555 57.640 56.100 -0.026 0.000 1.016 307 R CB -1.030 29.256 30.300 -0.023 0.000 0.918 307 R HN 0.628 nan 8.270 nan 0.000 0.473 308 K N -1.736 118.539 120.400 -0.208 0.000 2.335 308 K HA 0.123 4.444 4.320 0.001 0.000 0.195 308 K C 0.896 177.102 176.600 -0.656 0.000 1.058 308 K CA 0.671 56.673 56.287 -0.475 0.000 0.988 308 K CB 0.264 32.374 32.500 -0.650 0.000 0.880 308 K HN 0.436 nan 8.250 nan 0.000 0.513 309 Y N -0.304 120.001 120.300 0.008 0.000 2.539 309 Y HA 0.222 4.772 4.550 0.001 0.000 0.284 309 Y C 0.248 176.169 175.900 0.034 0.000 1.134 309 Y CA -0.279 57.831 58.100 0.018 0.000 1.251 309 Y CB 0.665 39.140 38.460 0.025 0.000 1.260 309 Y HN -0.138 nan 8.280 nan 0.000 0.528 310 L N 3.322 124.653 121.223 0.179 0.000 2.426 310 L HA 0.425 4.766 4.340 0.001 0.000 0.255 310 L C -2.556 174.362 176.870 0.081 0.000 1.080 310 L CA -2.477 52.449 54.840 0.144 0.000 0.960 310 L CB -0.246 41.931 42.059 0.197 0.000 1.326 310 L HN -0.080 nan 8.230 nan 0.000 0.441 311 P HA 0.141 nan 4.420 nan 0.000 0.275 311 P C 0.403 177.720 177.300 0.029 0.000 1.266 311 P CA -0.244 62.864 63.100 0.012 0.000 0.793 311 P CB 0.755 32.443 31.700 -0.020 0.000 1.074 312 T N -0.475 114.093 114.554 0.024 0.000 2.766 312 T HA 0.060 4.411 4.350 0.001 0.000 0.295 312 T C -0.516 174.206 174.700 0.037 0.000 1.024 312 T CA -0.068 62.062 62.100 0.049 0.000 1.018 312 T CB -0.297 68.610 68.868 0.065 0.000 1.002 312 T HN 0.196 nan 8.240 nan 0.000 0.532 313 Y N 3.389 123.637 120.300 -0.087 0.000 2.568 313 Y HA 0.247 4.797 4.550 0.001 0.000 0.338 313 Y C 1.645 177.481 175.900 -0.107 0.000 1.245 313 Y CA -0.322 57.686 58.100 -0.153 0.000 1.667 313 Y CB -0.427 37.914 38.460 -0.198 0.000 1.568 313 Y HN 0.503 nan 8.280 nan 0.000 0.471 314 R N 1.372 121.642 120.500 -0.384 0.000 2.097 314 R HA -0.077 4.264 4.340 0.001 0.000 0.236 314 R C 0.702 176.658 176.300 -0.574 0.000 1.135 314 R CA 1.563 57.449 56.100 -0.357 0.000 0.934 314 R CB -1.206 28.933 30.300 -0.269 0.000 0.846 314 R HN 0.837 nan 8.270 nan 0.000 0.431 315 S N -3.867 111.253 115.700 -0.966 0.000 2.660 315 S HA 0.302 4.772 4.470 0.001 0.000 0.264 315 S C -1.390 172.828 174.600 -0.637 0.000 1.131 315 S CA -0.760 56.942 58.200 -0.830 0.000 0.846 315 S CB 0.422 63.445 63.200 -0.295 0.000 1.151 315 S HN 0.419 nan 8.310 nan 0.000 0.486 316 Y N 2.388 122.544 120.300 -0.241 0.000 2.304 316 Y HA 0.679 5.229 4.550 0.001 0.000 0.328 316 Y C -0.290 175.569 175.900 -0.068 0.000 1.123 316 Y CA -0.620 57.457 58.100 -0.038 0.000 1.218 316 Y CB 0.899 39.405 38.460 0.077 0.000 1.207 316 Y HN 0.783 nan 8.280 nan 0.000 0.495 317 N N 5.287 123.671 118.700 -0.527 0.000 2.564 317 N HA 0.063 4.803 4.740 0.001 0.000 0.248 317 N C 0.197 175.346 175.510 -0.603 0.000 0.986 317 N CA -0.321 52.483 53.050 -0.411 0.000 0.921 317 N CB 0.473 38.813 38.487 -0.245 0.000 1.136 317 N HN 0.929 nan 8.380 nan 0.000 0.509 318 D N 1.499 121.663 120.400 -0.394 0.000 2.393 318 D HA -0.126 4.514 4.640 0.001 0.000 0.220 318 D C -0.299 175.922 176.300 -0.130 0.000 0.974 318 D CA 0.788 54.662 54.000 -0.209 0.000 0.931 318 D CB 0.054 40.933 40.800 0.131 0.000 0.889 318 D HN 0.286 nan 8.370 nan 0.000 0.512 319 S N -0.454 115.160 115.700 -0.144 0.000 2.525 319 S HA 0.440 4.910 4.470 0.001 0.000 0.242 319 S C -0.140 174.408 174.600 -0.088 0.000 1.164 319 S CA -0.879 57.271 58.200 -0.083 0.000 1.154 319 S CB 0.728 63.899 63.200 -0.048 0.000 0.875 319 S HN 0.039 nan 8.310 nan 0.000 0.482 320 V N 1.736 121.581 119.914 -0.115 0.000 2.555 320 V HA 0.406 4.526 4.120 0.001 0.000 0.302 320 V C -0.889 175.180 176.094 -0.043 0.000 1.038 320 V CA -0.697 61.551 62.300 -0.086 0.000 0.887 320 V CB 1.909 33.656 31.823 -0.126 0.000 0.991 320 V HN 0.406 nan 8.190 nan 0.000 0.434 321 D N 7.136 127.522 120.400 -0.023 0.000 2.393 321 D HA 0.307 4.948 4.640 0.001 0.000 0.232 321 D C -1.517 174.769 176.300 -0.024 0.000 1.192 321 D CA -1.911 52.083 54.000 -0.011 0.000 0.882 321 D CB 1.745 42.541 40.800 -0.007 0.000 1.038 321 D HN 0.274 nan 8.370 nan 0.000 0.499 322 P HA -0.060 nan 4.420 nan 0.000 0.237 322 P C 0.329 177.519 177.300 -0.183 0.000 1.178 322 P CA 0.294 63.382 63.100 -0.020 0.000 0.766 322 P CB -0.019 31.782 31.700 0.169 0.000 0.876 323 R N 0.275 120.687 120.500 -0.147 0.000 2.577 323 R HA 0.339 4.679 4.340 0.001 0.000 0.269 323 R C -0.235 175.972 176.300 -0.155 0.000 1.084 323 R CA -0.836 55.161 56.100 -0.172 0.000 1.163 323 R CB -0.004 30.235 30.300 -0.103 0.000 1.100 323 R HN -0.080 nan 8.270 nan 0.000 0.547 324 I N 1.557 122.045 120.570 -0.136 0.000 2.416 324 I HA 0.117 4.288 4.170 0.001 0.000 0.288 324 I C 0.537 176.630 176.117 -0.040 0.000 1.051 324 I CA 0.042 61.282 61.300 -0.101 0.000 1.375 324 I CB 1.403 39.387 38.000 -0.026 0.000 1.407 324 I HN 0.768 nan 8.210 nan 0.000 0.516 325 A N 5.079 127.869 122.820 -0.051 0.000 2.425 325 A HA 0.133 4.453 4.320 0.001 0.000 0.249 325 A C 1.084 178.702 177.584 0.056 0.000 1.084 325 A CA -0.156 51.877 52.037 -0.007 0.000 0.781 325 A CB 0.005 18.974 19.000 -0.052 0.000 1.019 325 A HN 0.917 nan 8.150 nan 0.000 0.490 326 N N 1.258 120.001 118.700 0.070 0.000 2.069 326 N HA -0.181 4.559 4.740 0.001 0.000 0.191 326 N C 1.634 177.195 175.510 0.085 0.000 1.031 326 N CA 1.655 54.776 53.050 0.119 0.000 0.852 326 N CB -0.106 38.471 38.487 0.151 0.000 1.018 326 N HN 0.488 nan 8.380 nan 0.000 0.423 327 V N 0.250 120.163 119.914 -0.002 0.000 2.287 327 V HA -0.226 3.895 4.120 0.001 0.000 0.248 327 V C 1.860 177.887 176.094 -0.111 0.000 1.053 327 V CA 1.780 63.982 62.300 -0.164 0.000 1.027 327 V CB -0.853 30.593 31.823 -0.628 0.000 0.646 327 V HN 0.396 nan 8.190 nan 0.000 0.447 328 F N 1.343 121.154 119.950 -0.231 0.000 2.141 328 F HA -0.260 4.267 4.527 0.001 0.000 0.300 328 F C 2.513 178.261 175.800 -0.086 0.000 1.079 328 F CA 2.461 60.341 58.000 -0.201 0.000 1.264 328 F CB -1.181 37.672 39.000 -0.245 0.000 1.011 328 F HN 0.215 nan 8.300 nan 0.000 0.487 329 T N -0.276 114.251 114.554 -0.045 0.000 2.721 329 T HA -0.291 4.059 4.350 0.001 0.000 0.268 329 T C 1.961 176.576 174.700 -0.142 0.000 1.038 329 T CA 2.184 64.228 62.100 -0.093 0.000 1.145 329 T CB -0.430 68.443 68.868 0.008 0.000 0.858 329 T HN 0.516 nan 8.240 nan 0.000 0.459 330 N N -1.083 117.548 118.700 -0.116 0.000 2.436 330 N HA 0.176 4.916 4.740 0.001 0.000 0.178 330 N C 2.165 177.669 175.510 -0.012 0.000 1.026 330 N CA 0.544 53.550 53.050 -0.073 0.000 0.880 330 N CB -0.026 38.441 38.487 -0.033 0.000 1.061 330 N HN 0.326 nan 8.380 nan 0.000 0.434 331 A N 0.945 123.726 122.820 -0.065 0.000 1.908 331 A HA -0.162 4.159 4.320 0.001 0.000 0.218 331 A C 1.691 179.342 177.584 0.111 0.000 1.181 331 A CA 1.066 53.108 52.037 0.010 0.000 0.627 331 A CB -0.861 18.121 19.000 -0.030 0.000 0.818 331 A HN 0.341 nan 8.150 nan 0.000 0.445 332 F N 1.338 121.044 119.950 -0.407 0.000 2.373 332 F HA -0.103 4.424 4.527 0.001 0.000 0.300 332 F C 2.163 177.873 175.800 -0.150 0.000 1.080 332 F CA 1.027 58.832 58.000 -0.326 0.000 1.417 332 F CB -0.092 38.452 39.000 -0.760 0.000 1.070 332 F HN 0.358 nan 8.300 nan 0.000 0.546 333 R N 0.346 120.781 120.500 -0.108 0.000 2.404 333 R HA -0.111 4.230 4.340 0.001 0.000 0.236 333 R C 1.467 177.682 176.300 -0.143 0.000 1.044 333 R CA 0.384 56.215 56.100 -0.448 0.000 1.133 333 R CB -1.905 28.010 30.300 -0.641 0.000 1.142 333 R HN 0.487 nan 8.270 nan 0.000 0.512 334 Y N -0.393 119.898 120.300 -0.016 0.000 2.293 334 Y HA 0.169 4.720 4.550 0.001 0.000 0.291 334 Y C 2.072 177.982 175.900 0.017 0.000 1.137 334 Y CA 0.752 58.884 58.100 0.053 0.000 1.202 334 Y CB -0.859 37.588 38.460 -0.022 0.000 0.990 334 Y HN 0.017 nan 8.280 nan 0.000 0.537 335 G N -0.152 107.808 108.800 -1.399 0.000 2.527 335 G HA2 -0.249 3.712 3.960 0.001 0.000 0.219 335 G HA3 -0.249 3.712 3.960 0.001 0.000 0.219 335 G C 1.032 175.741 174.900 -0.319 0.000 1.117 335 G CA 0.872 45.304 45.100 -1.113 0.000 0.759 335 G HN 0.725 nan 8.290 nan 0.000 0.556 336 H N 0.004 118.962 119.070 -0.186 0.000 2.518 336 H HA -0.065 4.492 4.556 0.001 0.000 0.289 336 H C 2.562 177.904 175.328 0.024 0.000 1.051 336 H CA 1.130 57.150 56.048 -0.046 0.000 1.280 336 H CB 0.332 30.102 29.762 0.013 0.000 1.380 336 H HN 0.500 nan 8.280 nan 0.000 0.566 337 T N -1.916 112.723 114.554 0.141 0.000 3.107 337 T HA 0.020 4.371 4.350 0.001 0.000 0.249 337 T C 1.519 176.243 174.700 0.039 0.000 1.096 337 T CA 0.035 62.194 62.100 0.099 0.000 1.012 337 T CB 0.070 68.982 68.868 0.073 0.000 0.977 337 T HN 0.052 nan 8.240 nan 0.000 0.527 338 L N 1.572 122.791 121.223 -0.006 0.000 2.416 338 L HA 0.463 4.804 4.340 0.001 0.000 0.216 338 L C 1.175 178.044 176.870 -0.001 0.000 1.098 338 L CA -0.083 54.749 54.840 -0.013 0.000 0.840 338 L CB -0.440 41.577 42.059 -0.070 0.000 0.981 338 L HN 0.561 nan 8.230 nan 0.000 0.462 339 I N -0.946 119.623 120.570 -0.002 0.000 2.648 339 I HA 0.077 4.247 4.170 0.001 0.000 0.284 339 I C -0.181 175.954 176.117 0.030 0.000 1.153 339 I CA -0.022 61.278 61.300 0.000 0.000 1.426 339 I CB 0.475 38.453 38.000 -0.037 0.000 1.381 339 I HN 0.127 nan 8.210 nan 0.000 0.571 340 Q N 7.256 127.099 119.800 0.072 0.000 2.256 340 Q HA 0.339 4.680 4.340 0.001 0.000 0.257 340 Q C -1.692 174.376 176.000 0.114 0.000 0.936 340 Q CA -1.740 54.151 55.803 0.147 0.000 0.903 340 Q CB 2.078 30.982 28.738 0.275 0.000 1.263 340 Q HN 0.562 nan 8.270 nan 0.000 0.440 341 P HA -0.172 nan 4.420 nan 0.000 0.220 341 P C -0.483 176.479 177.300 -0.563 0.000 1.142 341 P CA 1.593 64.472 63.100 -0.368 0.000 0.801 341 P CB 0.131 31.396 31.700 -0.725 0.000 0.764 342 F N -2.894 117.054 119.950 -0.003 0.000 2.894 342 F HA 0.517 5.044 4.527 0.001 0.000 0.332 342 F C 0.298 175.951 175.800 -0.245 0.000 1.192 342 F CA -1.388 56.463 58.000 -0.249 0.000 0.980 342 F CB 0.726 39.279 39.000 -0.746 0.000 1.448 342 F HN -0.428 nan 8.300 nan 0.000 0.514 343 M N 2.005 121.538 119.600 -0.111 0.000 2.125 343 M HA 0.558 5.039 4.480 0.001 0.000 0.321 343 M C -2.182 173.995 176.300 -0.205 0.000 0.983 343 M CA -0.352 54.916 55.300 -0.053 0.000 0.934 343 M CB 0.775 33.349 32.600 -0.043 0.000 1.542 343 M HN 0.415 nan 8.290 nan 0.000 0.424 344 F N 3.863 123.837 119.950 0.040 0.000 2.443 344 F HA 0.639 5.166 4.527 0.001 0.000 0.335 344 F C -0.301 175.490 175.800 -0.015 0.000 1.104 344 F CA -0.673 57.329 58.000 0.004 0.000 1.013 344 F CB 1.330 40.336 39.000 0.009 0.000 1.136 344 F HN 0.495 nan 8.300 nan 0.000 0.470 345 R N 3.177 123.744 120.500 0.112 0.000 2.514 345 R HA 0.710 5.050 4.340 0.001 0.000 0.296 345 R C -1.919 174.384 176.300 0.006 0.000 1.012 345 R CA -0.823 55.297 56.100 0.033 0.000 0.897 345 R CB 1.670 31.961 30.300 -0.014 0.000 1.184 345 R HN 0.320 nan 8.270 nan 0.000 0.440 346 L N 2.697 123.896 121.223 -0.040 0.000 2.342 346 L HA 0.322 4.662 4.340 0.001 0.000 0.271 346 L C 0.247 177.040 176.870 -0.127 0.000 1.008 346 L CA -0.805 53.987 54.840 -0.080 0.000 0.818 346 L CB 1.488 43.483 42.059 -0.108 0.000 1.296 346 L HN 0.761 nan 8.230 nan 0.000 0.427 347 D N 1.641 121.985 120.400 -0.093 0.000 2.390 347 D HA -0.092 4.549 4.640 0.001 0.000 0.236 347 D C 0.396 176.641 176.300 -0.093 0.000 1.189 347 D CA -0.057 53.901 54.000 -0.071 0.000 0.887 347 D CB 0.788 41.568 40.800 -0.033 0.000 1.198 347 D HN 0.640 nan 8.370 nan 0.000 0.444 348 N N 0.129 118.810 118.700 -0.032 0.000 2.635 348 N HA -0.150 4.591 4.740 0.001 0.000 0.191 348 N C 1.327 176.904 175.510 0.111 0.000 1.155 348 N CA 0.579 53.631 53.050 0.004 0.000 0.927 348 N CB -0.437 38.066 38.487 0.027 0.000 0.976 348 N HN 0.561 nan 8.380 nan 0.000 0.448 349 R N 0.070 120.636 120.500 0.110 0.000 2.432 349 R HA 0.098 4.439 4.340 0.001 0.000 0.260 349 R C -0.000 176.446 176.300 0.243 0.000 0.935 349 R CA -0.401 55.801 56.100 0.170 0.000 1.080 349 R CB -1.317 29.019 30.300 0.060 0.000 1.155 349 R HN 0.322 nan 8.270 nan 0.000 0.531 350 Y N -0.178 120.137 120.300 0.025 0.000 4.538 350 Y HA -0.360 4.190 4.550 0.001 0.000 0.225 350 Y C 0.719 176.523 175.900 -0.160 0.000 1.074 350 Y CA 1.343 59.415 58.100 -0.046 0.000 1.942 350 Y CB -2.295 36.178 38.460 0.021 0.000 1.618 350 Y HN 0.590 nan 8.280 nan 0.000 0.642 351 Q N 0.077 119.874 119.800 -0.004 0.000 2.527 351 Q HA 0.414 4.754 4.340 0.001 0.000 0.220 351 Q C -2.312 173.678 176.000 -0.017 0.000 1.014 351 Q CA -2.233 53.550 55.803 -0.034 0.000 0.978 351 Q CB 0.321 29.029 28.738 -0.049 0.000 1.245 351 Q HN -0.182 nan 8.270 nan 0.000 0.513 352 P HA -0.176 nan 4.420 nan 0.000 0.185 352 P C -0.424 176.867 177.300 -0.014 0.000 0.860 352 P CA 1.121 64.216 63.100 -0.008 0.000 1.176 352 P CB -0.261 31.430 31.700 -0.015 0.000 1.233 353 M N 2.783 122.374 119.600 -0.014 0.000 2.217 353 M HA 0.038 4.519 4.480 0.001 0.000 0.352 353 M C 1.224 177.513 176.300 -0.018 0.000 1.376 353 M CA 0.524 55.812 55.300 -0.020 0.000 1.107 353 M CB 0.475 33.057 32.600 -0.030 0.000 1.723 353 M HN 0.225 nan 8.290 nan 0.000 0.461 354 E N 5.808 126.001 120.200 -0.013 0.000 2.320 354 E HA 0.175 4.526 4.350 0.001 0.000 0.234 354 E C -2.095 174.508 176.600 0.004 0.000 1.290 354 E CA -0.983 55.414 56.400 -0.006 0.000 1.545 354 E CB -0.793 28.904 29.700 -0.005 0.000 1.379 354 E HN 0.643 nan 8.360 nan 0.000 0.437 355 P HA 0.129 nan 4.420 nan 0.000 0.216 355 P C -0.252 177.060 177.300 0.021 0.000 1.151 355 P CA 0.393 63.507 63.100 0.023 0.000 0.863 355 P CB 0.526 32.240 31.700 0.023 0.000 0.790 356 N N -1.346 117.357 118.700 0.004 0.000 4.190 356 N HA 0.028 4.769 4.740 0.001 0.000 0.184 356 N C -2.509 172.978 175.510 -0.038 0.000 1.230 356 N CA -0.721 52.324 53.050 -0.008 0.000 0.927 356 N CB 1.695 40.187 38.487 0.008 0.000 1.653 356 N HN -0.140 nan 8.380 nan 0.000 0.832 357 P HA -0.222 nan 4.420 nan 0.000 0.212 357 P C -0.314 176.892 177.300 -0.157 0.000 1.174 357 P CA 1.647 64.701 63.100 -0.076 0.000 0.934 357 P CB 0.080 31.745 31.700 -0.059 0.000 0.791 358 R N -0.418 119.928 120.500 -0.257 0.000 2.288 358 R HA 0.605 4.945 4.340 0.001 0.000 0.326 358 R C -1.261 174.917 176.300 -0.203 0.000 0.959 358 R CA -0.806 55.010 56.100 -0.473 0.000 0.834 358 R CB 1.010 30.707 30.300 -1.006 0.000 1.157 358 R HN -0.167 nan 8.270 nan 0.000 0.470 359 V N 5.716 125.569 119.914 -0.102 0.000 2.427 359 V HA 0.446 4.566 4.120 0.001 0.000 0.286 359 V C -1.866 174.312 176.094 0.140 0.000 1.034 359 V CA -2.306 60.013 62.300 0.032 0.000 0.893 359 V CB 1.727 33.542 31.823 -0.013 0.000 0.982 359 V HN 0.832 nan 8.190 nan 0.000 0.452 360 P HA 0.085 nan 4.420 nan 0.000 0.275 360 P C -0.244 177.064 177.300 0.013 0.000 1.228 360 P CA -0.372 62.739 63.100 0.019 0.000 0.786 360 P CB 0.777 32.449 31.700 -0.047 0.000 0.927 361 L N 2.959 124.156 121.223 -0.043 0.000 2.505 361 L HA 0.009 4.349 4.340 0.001 0.000 0.275 361 L C 1.056 178.122 176.870 0.328 0.000 1.264 361 L CA 1.327 56.237 54.840 0.116 0.000 1.148 361 L CB -1.117 40.969 42.059 0.045 0.000 1.377 361 L HN 0.657 nan 8.230 nan 0.000 0.442 362 S N 2.105 117.993 115.700 0.314 0.000 1.773 362 S HA 0.063 4.533 4.470 0.001 0.000 0.203 362 S C 1.061 175.760 174.600 0.165 0.000 0.762 362 S CA -0.429 57.836 58.200 0.108 0.000 1.503 362 S CB 0.023 63.175 63.200 -0.080 0.000 0.926 362 S HN 0.541 nan 8.310 nan 0.000 0.380 363 R N 1.400 122.002 120.500 0.170 0.000 2.334 363 R HA 0.506 4.847 4.340 0.001 0.000 0.220 363 R C 1.155 177.578 176.300 0.204 0.000 0.917 363 R CA 0.387 56.598 56.100 0.184 0.000 1.073 363 R CB -0.726 29.668 30.300 0.157 0.000 1.056 363 R HN 0.405 nan 8.270 nan 0.000 0.506 364 V N 0.068 120.121 119.914 0.231 0.000 3.645 364 V HA 0.209 4.329 4.120 0.001 0.000 0.275 364 V C -0.200 175.940 176.094 0.076 0.000 1.356 364 V CA -0.120 62.237 62.300 0.096 0.000 1.051 364 V CB -0.071 31.735 31.823 -0.029 0.000 0.828 364 V HN -0.033 nan 8.190 nan 0.000 0.441 365 F N 1.284 121.189 119.950 -0.075 0.000 2.571 365 F HA 0.303 4.830 4.527 0.001 0.000 0.384 365 F C 0.446 176.158 175.800 -0.148 0.000 1.058 365 F CA -0.312 57.561 58.000 -0.211 0.000 1.200 365 F CB -0.674 38.213 39.000 -0.188 0.000 1.077 365 F HN 0.104 nan 8.300 nan 0.000 0.558 366 F N 0.618 120.642 119.950 0.122 0.000 2.985 366 F HA -0.206 4.321 4.527 0.001 0.000 0.303 366 F C 0.597 176.413 175.800 0.027 0.000 0.976 366 F CA 0.010 58.033 58.000 0.039 0.000 1.013 366 F CB -1.896 37.129 39.000 0.041 0.000 1.060 366 F HN 0.528 nan 8.300 nan 0.000 0.780 367 A N -0.656 122.215 122.820 0.086 0.000 3.173 367 A HA 0.612 4.932 4.320 0.001 0.000 0.304 367 A C 1.366 178.851 177.584 -0.166 0.000 1.318 367 A CA 0.371 52.407 52.037 -0.001 0.000 1.069 367 A CB 0.101 19.056 19.000 -0.075 0.000 1.147 367 A HN 0.282 nan 8.150 nan 0.000 0.547 368 S N 0.821 116.440 115.700 -0.134 0.000 2.382 368 S HA -0.151 4.320 4.470 0.001 0.000 0.228 368 S C 1.835 176.353 174.600 -0.137 0.000 1.027 368 S CA 1.567 59.600 58.200 -0.279 0.000 0.991 368 S CB -0.334 62.466 63.200 -0.667 0.000 0.823 368 S HN 1.003 nan 8.310 nan 0.000 0.469 369 W N 2.437 123.694 121.300 -0.072 0.000 2.338 369 W HA -0.132 4.528 4.660 0.001 0.000 0.304 369 W C 1.802 178.308 176.519 -0.021 0.000 1.212 369 W CA 1.102 58.417 57.345 -0.050 0.000 1.264 369 W CB -1.190 28.258 29.460 -0.020 0.000 1.142 369 W HN 0.168 nan 8.180 nan 0.000 0.512 370 R N 1.173 120.956 120.500 -1.195 0.000 2.133 370 R HA -0.184 4.157 4.340 0.001 0.000 0.247 370 R C 2.333 178.373 176.300 -0.432 0.000 1.151 370 R CA 2.844 58.283 56.100 -1.101 0.000 0.971 370 R CB -0.726 29.043 30.300 -0.885 0.000 0.866 370 R HN 0.213 nan 8.270 nan 0.000 0.447 371 V N -1.073 118.699 119.914 -0.237 0.000 2.346 371 V HA -0.148 3.972 4.120 0.001 0.000 0.244 371 V C 2.144 178.217 176.094 -0.035 0.000 1.037 371 V CA 1.517 63.774 62.300 -0.071 0.000 1.029 371 V CB -0.270 31.604 31.823 0.085 0.000 0.663 371 V HN 0.115 nan 8.190 nan 0.000 0.454 372 V N -0.392 119.503 119.914 -0.032 0.000 2.255 372 V HA -0.142 3.978 4.120 0.001 0.000 0.243 372 V C 2.279 178.384 176.094 0.018 0.000 1.038 372 V CA 1.526 63.797 62.300 -0.049 0.000 1.008 372 V CB -0.586 31.092 31.823 -0.241 0.000 0.645 372 V HN 0.330 nan 8.190 nan 0.000 0.449 373 L N -0.427 120.829 121.223 0.056 0.000 2.168 373 L HA 0.096 4.436 4.340 0.001 0.000 0.203 373 L C 2.267 179.216 176.870 0.132 0.000 1.078 373 L CA 1.460 56.397 54.840 0.161 0.000 0.780 373 L CB -1.125 41.133 42.059 0.331 0.000 0.939 373 L HN 0.375 nan 8.230 nan 0.000 0.451 374 E N -0.547 119.676 120.200 0.038 0.000 2.502 374 E HA 0.229 4.580 4.350 0.001 0.000 0.194 374 E C -0.015 176.570 176.600 -0.026 0.000 1.062 374 E CA 0.374 56.768 56.400 -0.010 0.000 0.867 374 E CB 0.173 29.755 29.700 -0.196 0.000 0.888 374 E HN 0.437 nan 8.360 nan 0.000 0.510 375 G N 0.154 108.945 108.800 -0.016 0.000 2.730 375 G HA2 0.077 4.037 3.960 0.001 0.000 0.644 375 G HA3 0.077 4.037 3.960 0.001 0.000 0.644 375 G C 0.344 175.227 174.900 -0.030 0.000 1.168 375 G CA -0.581 44.511 45.100 -0.014 0.000 1.240 375 G HN 0.439 nan 8.290 nan 0.000 0.551 376 G N 0.759 109.550 108.800 -0.014 0.000 2.531 376 G HA2 -0.078 3.882 3.960 0.001 0.000 1.008 376 G HA3 -0.078 3.882 3.960 0.001 0.000 1.008 376 G C 1.352 176.232 174.900 -0.033 0.000 1.337 376 G CA 0.367 45.457 45.100 -0.018 0.000 0.899 376 G HN 1.482 nan 8.290 nan 0.000 0.516 377 I N -0.771 119.778 120.570 -0.034 0.000 2.703 377 I HA -0.022 4.148 4.170 0.001 0.000 0.259 377 I C 2.183 178.278 176.117 -0.037 0.000 1.151 377 I CA 1.324 62.600 61.300 -0.041 0.000 1.470 377 I CB -0.330 37.639 38.000 -0.052 0.000 1.112 377 I HN 0.547 nan 8.210 nan 0.000 0.437 378 D N 2.066 122.444 120.400 -0.036 0.000 2.103 378 D HA -0.175 4.465 4.640 0.001 0.000 0.190 378 D C -0.972 175.293 176.300 -0.058 0.000 0.997 378 D CA 1.658 55.633 54.000 -0.041 0.000 0.833 378 D CB -1.715 39.062 40.800 -0.038 0.000 0.961 378 D HN 0.258 nan 8.370 nan 0.000 0.447 379 P HA -0.094 nan 4.420 nan 0.000 0.224 379 P C 1.110 178.381 177.300 -0.048 0.000 1.142 379 P CA 1.086 64.145 63.100 -0.069 0.000 0.778 379 P CB 0.009 31.678 31.700 -0.053 0.000 0.764 380 I N -2.446 118.104 120.570 -0.033 0.000 3.443 380 I HA -0.011 4.160 4.170 0.001 0.000 0.277 380 I C 1.904 178.024 176.117 0.005 0.000 1.169 380 I CA -0.057 61.239 61.300 -0.006 0.000 1.419 380 I CB -0.422 37.570 38.000 -0.014 0.000 1.331 380 I HN -0.224 nan 8.210 nan 0.000 0.458 381 L N 1.727 122.944 121.223 -0.011 0.000 2.197 381 L HA -0.116 4.224 4.340 0.001 0.000 0.215 381 L C 1.331 178.211 176.870 0.017 0.000 1.095 381 L CA 1.750 56.587 54.840 -0.006 0.000 0.764 381 L CB -0.890 41.158 42.059 -0.018 0.000 0.897 381 L HN 0.203 nan 8.230 nan 0.000 0.436 382 R N -1.577 118.927 120.500 0.007 0.000 2.483 382 R HA 0.492 4.833 4.340 0.001 0.000 0.303 382 R C 0.284 176.591 176.300 0.012 0.000 0.987 382 R CA 0.473 56.598 56.100 0.040 0.000 0.881 382 R CB 0.907 31.179 30.300 -0.047 0.000 1.177 382 R HN 0.149 nan 8.270 nan 0.000 0.451 383 G N 3.208 112.088 108.800 0.134 0.000 2.421 383 G HA2 -0.198 3.762 3.960 0.001 0.000 0.188 383 G HA3 -0.198 3.762 3.960 0.001 0.000 0.188 383 G C 0.445 175.415 174.900 0.117 0.000 1.001 383 G CA 0.090 45.263 45.100 0.122 0.000 0.693 383 G HN 0.507 nan 8.290 nan 0.000 0.479 384 L N 0.082 121.369 121.223 0.106 0.000 2.162 384 L HA 0.412 4.752 4.340 0.001 0.000 0.205 384 L C 2.651 179.573 176.870 0.087 0.000 1.086 384 L CA 1.524 56.411 54.840 0.079 0.000 0.778 384 L CB -0.064 42.028 42.059 0.054 0.000 0.928 384 L HN 0.388 nan 8.230 nan 0.000 0.446 385 M N -1.179 118.506 119.600 0.141 0.000 2.492 385 M HA -0.021 4.460 4.480 0.001 0.000 0.262 385 M C 1.376 177.919 176.300 0.404 0.000 1.090 385 M CA 1.259 56.668 55.300 0.181 0.000 1.110 385 M CB 0.209 32.984 32.600 0.293 0.000 1.407 385 M HN 0.212 nan 8.290 nan 0.000 0.470 386 A N -1.893 121.180 122.820 0.423 0.000 2.508 386 A HA 0.247 4.567 4.320 0.001 0.000 0.250 386 A C 0.675 178.358 177.584 0.165 0.000 1.208 386 A CA -0.142 52.171 52.037 0.461 0.000 0.960 386 A CB 0.320 19.615 19.000 0.492 0.000 1.099 386 A HN 0.268 nan 8.150 nan 0.000 0.542 387 T N 2.530 117.110 114.554 0.043 0.000 2.786 387 T HA 0.525 4.876 4.350 0.001 0.000 0.283 387 T C -3.051 171.586 174.700 -0.104 0.000 0.992 387 T CA -2.013 60.001 62.100 -0.144 0.000 0.954 387 T CB 0.799 69.396 68.868 -0.452 0.000 0.934 387 T HN 0.029 nan 8.240 nan 0.000 0.440 388 P HA 0.199 nan 4.420 nan 0.000 0.261 388 P C -0.313 176.961 177.300 -0.043 0.000 1.173 388 P CA -0.144 62.937 63.100 -0.033 0.000 0.760 388 P CB 0.187 31.872 31.700 -0.025 0.000 0.783 389 A N 3.529 126.350 122.820 0.001 0.000 2.366 389 A HA 0.255 4.575 4.320 0.001 0.000 0.250 389 A C 0.620 178.216 177.584 0.020 0.000 1.099 389 A CA -0.209 51.836 52.037 0.012 0.000 0.794 389 A CB -0.061 18.958 19.000 0.032 0.000 1.056 389 A HN 0.594 nan 8.150 nan 0.000 0.499 390 K N -0.660 119.757 120.400 0.029 0.000 2.168 390 K HA 0.496 4.816 4.320 0.001 0.000 0.258 390 K C -0.805 175.818 176.600 0.038 0.000 1.010 390 K CA -0.359 55.950 56.287 0.038 0.000 0.929 390 K CB 0.665 33.191 32.500 0.044 0.000 0.998 390 K HN 0.574 nan 8.250 nan 0.000 0.479 391 L N 2.547 123.792 121.223 0.038 0.000 2.341 391 L HA 0.384 4.724 4.340 0.001 0.000 0.278 391 L C -0.896 175.993 176.870 0.033 0.000 1.005 391 L CA -0.320 54.542 54.840 0.037 0.000 0.818 391 L CB 1.552 43.632 42.059 0.034 0.000 1.259 391 L HN 0.879 nan 8.230 nan 0.000 0.418 392 N N 4.977 123.697 118.700 0.033 0.000 2.514 392 N HA 0.511 5.252 4.740 0.001 0.000 0.277 392 N C -1.204 174.312 175.510 0.010 0.000 1.126 392 N CA -0.461 52.602 53.050 0.021 0.000 0.978 392 N CB 0.616 39.114 38.487 0.019 0.000 1.106 392 N HN 0.765 nan 8.380 nan 0.000 0.461 393 R N 1.937 122.436 120.500 -0.001 0.000 2.634 393 R HA 0.088 4.429 4.340 0.001 0.000 0.263 393 R C 0.028 176.319 176.300 -0.016 0.000 1.060 393 R CA -0.749 55.346 56.100 -0.007 0.000 0.898 393 R CB 0.573 30.875 30.300 0.003 0.000 1.253 393 R HN 0.543 nan 8.270 nan 0.000 0.461 394 Q N 0.865 120.650 119.800 -0.024 0.000 2.585 394 Q HA -0.096 4.245 4.340 0.001 0.000 0.219 394 Q C 0.033 176.024 176.000 -0.015 0.000 0.984 394 Q CA 1.081 56.866 55.803 -0.030 0.000 0.915 394 Q CB -0.175 28.546 28.738 -0.030 0.000 0.967 394 Q HN 0.485 nan 8.270 nan 0.000 0.530 395 N N 0.196 118.893 118.700 -0.005 0.000 2.177 395 N HA 0.073 4.813 4.740 0.001 0.000 0.218 395 N C -0.438 175.078 175.510 0.009 0.000 1.182 395 N CA 0.163 53.215 53.050 0.004 0.000 0.882 395 N CB 1.076 39.568 38.487 0.007 0.000 1.052 395 N HN 0.206 nan 8.380 nan 0.000 0.519 396 Q N 0.252 120.057 119.800 0.008 0.000 3.449 396 Q HA 0.370 4.711 4.340 0.001 0.000 0.272 396 Q C 0.590 176.600 176.000 0.017 0.000 0.787 396 Q CA -0.067 55.746 55.803 0.016 0.000 0.904 396 Q CB 0.865 29.615 28.738 0.020 0.000 1.536 396 Q HN 0.074 nan 8.270 nan 0.000 0.387 397 I N 0.280 120.860 120.570 0.016 0.000 2.036 397 I HA -0.144 4.026 4.170 0.001 0.000 0.231 397 I C 0.959 177.119 176.117 0.071 0.000 1.044 397 I CA 1.441 62.749 61.300 0.013 0.000 1.315 397 I CB 0.171 38.164 38.000 -0.012 0.000 1.051 397 I HN 0.410 nan 8.210 nan 0.000 0.391 398 A N -0.761 122.130 122.820 0.117 0.000 2.486 398 A HA 0.693 5.014 4.320 0.001 0.000 0.289 398 A C -1.024 176.598 177.584 0.062 0.000 1.176 398 A CA -0.383 51.734 52.037 0.133 0.000 0.757 398 A CB 1.596 20.749 19.000 0.254 0.000 1.337 398 A HN 0.082 nan 8.150 nan 0.000 0.423 399 V N -0.605 119.323 119.914 0.023 0.000 3.158 399 V HA 0.434 4.554 4.120 0.001 0.000 0.315 399 V C 0.549 176.620 176.094 -0.038 0.000 1.148 399 V CA -0.235 62.061 62.300 -0.007 0.000 1.042 399 V CB 1.772 33.583 31.823 -0.019 0.000 1.101 399 V HN 0.936 nan 8.190 nan 0.000 0.448 400 D N 0.911 121.282 120.400 -0.049 0.000 2.116 400 D HA -0.165 4.476 4.640 0.001 0.000 0.193 400 D C 1.744 177.985 176.300 -0.099 0.000 0.998 400 D CA 2.058 56.016 54.000 -0.070 0.000 0.836 400 D CB -0.023 40.740 40.800 -0.061 0.000 0.951 400 D HN 0.785 nan 8.370 nan 0.000 0.449 401 E N 0.021 120.155 120.200 -0.109 0.000 2.301 401 E HA -0.164 4.187 4.350 0.001 0.000 0.202 401 E C 1.600 178.137 176.600 -0.104 0.000 1.017 401 E CA 0.819 57.145 56.400 -0.124 0.000 0.831 401 E CB -0.076 29.530 29.700 -0.155 0.000 0.742 401 E HN 0.590 nan 8.360 nan 0.000 0.491 402 I N -3.905 116.603 120.570 -0.103 0.000 4.310 402 I HA 0.292 4.463 4.170 0.001 0.000 0.328 402 I C 1.516 177.537 176.117 -0.161 0.000 1.406 402 I CA -0.155 61.065 61.300 -0.134 0.000 1.174 402 I CB 0.212 38.139 38.000 -0.121 0.000 1.279 402 I HN -0.085 nan 8.210 nan 0.000 0.471 403 R N 1.825 122.251 120.500 -0.122 0.000 2.103 403 R HA 0.186 4.527 4.340 0.001 0.000 0.212 403 R C 1.110 177.341 176.300 -0.115 0.000 1.107 403 R CA 0.900 56.939 56.100 -0.102 0.000 1.025 403 R CB 0.371 30.637 30.300 -0.056 0.000 0.929 403 R HN 0.415 nan 8.270 nan 0.000 0.456 404 E N -0.522 119.608 120.200 -0.116 0.000 2.538 404 E HA 0.080 4.430 4.350 0.001 0.000 0.207 404 E C 0.351 176.860 176.600 -0.152 0.000 1.002 404 E CA 0.025 56.355 56.400 -0.115 0.000 0.952 404 E CB 1.052 30.699 29.700 -0.087 0.000 1.031 404 E HN 0.013 nan 8.360 nan 0.000 0.476 405 R N 0.328 120.699 120.500 -0.216 0.000 2.538 405 R HA 0.179 4.520 4.340 0.001 0.000 0.372 405 R C -0.285 175.713 176.300 -0.503 0.000 0.950 405 R CA -0.316 55.610 56.100 -0.290 0.000 1.168 405 R CB 0.392 30.532 30.300 -0.266 0.000 1.542 405 R HN -0.024 nan 8.270 nan 0.000 0.536 406 L N 2.030 122.966 121.223 -0.477 0.000 2.678 406 L HA -0.040 4.300 4.340 0.001 0.000 0.285 406 L C -0.592 175.909 176.870 -0.616 0.000 1.233 406 L CA 0.910 55.342 54.840 -0.681 0.000 0.920 406 L CB -0.320 41.380 42.059 -0.598 0.000 1.176 406 L HN 0.312 nan 8.230 nan 0.000 0.495 407 F N 3.202 122.659 119.950 -0.822 0.000 2.694 407 F HA -0.249 4.278 4.527 0.001 0.000 0.215 407 F C 1.365 176.991 175.800 -0.290 0.000 1.032 407 F CA 1.389 59.144 58.000 -0.410 0.000 0.871 407 F CB -1.743 37.235 39.000 -0.036 0.000 0.776 407 F HN 0.761 nan 8.300 nan 0.000 0.850 408 E N -0.542 119.527 120.200 -0.219 0.000 2.489 408 E HA -0.021 4.330 4.350 0.001 0.000 0.204 408 E C 1.554 178.142 176.600 -0.021 0.000 1.006 408 E CA 0.485 56.835 56.400 -0.084 0.000 0.936 408 E CB -0.084 29.542 29.700 -0.123 0.000 1.002 408 E HN 0.722 nan 8.360 nan 0.000 0.488 409 Q N 0.654 120.454 119.800 -0.000 0.000 2.451 409 Q HA 0.086 4.427 4.340 0.001 0.000 0.206 409 Q C 1.692 177.741 176.000 0.083 0.000 0.947 409 Q CA 0.765 56.596 55.803 0.046 0.000 0.937 409 Q CB 0.668 29.439 28.738 0.055 0.000 1.025 409 Q HN 0.209 nan 8.270 nan 0.000 0.511 410 V N -0.850 119.134 119.914 0.116 0.000 3.556 410 V HA 0.372 4.492 4.120 0.001 0.000 0.287 410 V C -0.101 176.044 176.094 0.086 0.000 1.422 410 V CA 0.005 62.380 62.300 0.125 0.000 1.038 410 V CB 0.826 32.794 31.823 0.241 0.000 0.850 410 V HN 0.327 nan 8.190 nan 0.000 0.437 411 M N -0.547 119.106 119.600 0.088 0.000 2.796 411 M HA 0.455 4.935 4.480 0.001 0.000 0.303 411 M C 1.032 177.360 176.300 0.048 0.000 1.240 411 M CA -0.369 54.978 55.300 0.078 0.000 0.831 411 M CB 1.646 34.323 32.600 0.129 0.000 1.750 411 M HN -0.008 nan 8.290 nan 0.000 0.484 412 R N 0.737 121.262 120.500 0.042 0.000 2.193 412 R HA 0.290 4.631 4.340 0.001 0.000 0.213 412 R C -0.353 175.953 176.300 0.010 0.000 1.055 412 R CA 0.894 57.007 56.100 0.022 0.000 0.995 412 R CB 0.263 30.574 30.300 0.018 0.000 0.893 412 R HN 0.670 nan 8.270 nan 0.000 0.459 413 I N -0.404 120.174 120.570 0.013 0.000 2.841 413 I HA 0.350 4.521 4.170 0.001 0.000 0.298 413 I C -1.204 174.910 176.117 -0.005 0.000 1.304 413 I CA -1.041 60.256 61.300 -0.005 0.000 1.019 413 I CB 2.264 40.260 38.000 -0.007 0.000 1.282 413 I HN 0.101 nan 8.210 nan 0.000 0.432 414 G N 7.207 115.983 108.800 -0.039 0.000 2.333 414 G HA2 0.455 4.415 3.960 0.001 0.000 0.290 414 G HA3 0.455 4.415 3.960 0.001 0.000 0.290 414 G C -0.186 174.671 174.900 -0.072 0.000 1.150 414 G CA -0.504 44.559 45.100 -0.062 0.000 0.895 414 G HN 0.407 nan 8.290 nan 0.000 0.444 415 L N 1.560 122.759 121.223 -0.039 0.000 2.535 415 L HA 0.028 4.368 4.340 0.001 0.000 0.301 415 L C 0.495 177.279 176.870 -0.142 0.000 1.275 415 L CA 0.199 54.995 54.840 -0.073 0.000 0.843 415 L CB -0.028 42.004 42.059 -0.046 0.000 1.094 415 L HN 0.485 nan 8.230 nan 0.000 0.532 416 D N 0.799 121.132 120.400 -0.112 0.000 2.427 416 D HA 0.212 4.853 4.640 0.001 0.000 0.226 416 D C 0.748 176.955 176.300 -0.155 0.000 1.076 416 D CA -0.603 53.322 54.000 -0.125 0.000 0.849 416 D CB 0.978 41.724 40.800 -0.090 0.000 1.052 416 D HN 0.358 nan 8.370 nan 0.000 0.515 417 L N 6.928 128.019 121.223 -0.219 0.000 1.924 417 L HA -0.041 4.299 4.340 0.001 0.000 0.222 417 L C -0.873 175.813 176.870 -0.306 0.000 1.081 417 L CA 2.056 56.725 54.840 -0.286 0.000 0.780 417 L CB -1.536 40.292 42.059 -0.386 0.000 0.891 417 L HN 0.408 nan 8.230 nan 0.000 0.434 418 P HA -0.182 nan 4.420 nan 0.000 0.221 418 P C 1.044 178.151 177.300 -0.322 0.000 1.141 418 P CA 2.046 64.807 63.100 -0.564 0.000 0.794 418 P CB -0.343 31.228 31.700 -0.215 0.000 0.764 419 A N -1.166 121.547 122.820 -0.179 0.000 2.030 419 A HA 0.065 4.385 4.320 0.001 0.000 0.215 419 A C 2.126 179.651 177.584 -0.098 0.000 1.164 419 A CA 0.502 52.472 52.037 -0.112 0.000 0.697 419 A CB -1.158 17.787 19.000 -0.092 0.000 0.827 419 A HN 0.145 nan 8.150 nan 0.000 0.457 420 L N -0.280 120.906 121.223 -0.061 0.000 2.313 420 L HA -0.082 4.259 4.340 0.001 0.000 0.214 420 L C 2.092 179.012 176.870 0.084 0.000 1.119 420 L CA 0.834 55.757 54.840 0.138 0.000 0.809 420 L CB -0.495 41.654 42.059 0.150 0.000 0.933 420 L HN 0.448 nan 8.230 nan 0.000 0.449 421 N N 0.080 118.699 118.700 -0.135 0.000 2.058 421 N HA -0.189 4.551 4.740 0.001 0.000 0.191 421 N C 1.868 177.324 175.510 -0.089 0.000 1.037 421 N CA 1.401 54.310 53.050 -0.235 0.000 0.848 421 N CB -0.153 37.915 38.487 -0.699 0.000 1.021 421 N HN 0.234 nan 8.380 nan 0.000 0.422 422 M N 0.138 119.709 119.600 -0.050 0.000 2.229 422 M HA -0.135 4.346 4.480 0.001 0.000 0.264 422 M C 2.192 178.502 176.300 0.017 0.000 1.063 422 M CA 1.157 56.489 55.300 0.053 0.000 1.114 422 M CB 0.043 32.712 32.600 0.115 0.000 1.387 422 M HN 0.137 nan 8.290 nan 0.000 0.420 423 Q N 0.354 120.101 119.800 -0.088 0.000 2.187 423 Q HA -0.124 4.216 4.340 0.001 0.000 0.199 423 Q C 1.941 177.931 176.000 -0.016 0.000 0.957 423 Q CA 1.333 56.971 55.803 -0.275 0.000 0.857 423 Q CB -0.013 28.292 28.738 -0.721 0.000 0.929 423 Q HN 0.159 nan 8.270 nan 0.000 0.453 424 R N -0.044 120.607 120.500 0.252 0.000 2.189 424 R HA 0.010 4.351 4.340 0.001 0.000 0.218 424 R C 2.106 178.479 176.300 0.122 0.000 1.074 424 R CA 1.389 57.717 56.100 0.379 0.000 0.991 424 R CB -0.602 29.791 30.300 0.156 0.000 0.883 424 R HN 0.408 nan 8.270 nan 0.000 0.457 425 S N -0.721 115.042 115.700 0.104 0.000 2.395 425 S HA -0.043 4.428 4.470 0.001 0.000 0.225 425 S C 1.891 176.611 174.600 0.200 0.000 1.027 425 S CA 0.525 58.792 58.200 0.111 0.000 0.965 425 S CB -0.043 63.225 63.200 0.114 0.000 0.812 425 S HN 0.280 nan 8.310 nan 0.000 0.482 426 R N 1.016 121.650 120.500 0.223 0.000 2.115 426 R HA 0.114 4.454 4.340 0.001 0.000 0.226 426 R C 2.053 178.528 176.300 0.292 0.000 1.100 426 R CA 1.254 57.503 56.100 0.248 0.000 0.980 426 R CB -0.501 29.965 30.300 0.277 0.000 0.875 426 R HN 0.489 nan 8.270 nan 0.000 0.445 427 D N -0.088 120.554 120.400 0.404 0.000 2.078 427 D HA -0.160 4.480 4.640 0.001 0.000 0.193 427 D C 1.501 178.058 176.300 0.428 0.000 0.990 427 D CA 1.499 55.780 54.000 0.468 0.000 0.827 427 D CB -0.089 41.132 40.800 0.701 0.000 0.975 427 D HN 0.415 nan 8.370 nan 0.000 0.451 428 H N -1.022 118.155 119.070 0.179 0.000 2.457 428 H HA 0.021 4.578 4.556 0.001 0.000 0.297 428 H C 1.200 176.596 175.328 0.115 0.000 1.092 428 H CA 0.668 56.796 56.048 0.133 0.000 1.309 428 H CB 0.097 29.932 29.762 0.122 0.000 1.382 428 H HN 0.379 nan 8.280 nan 0.000 0.535 429 G N 0.598 109.547 108.800 0.249 0.000 2.165 429 G HA2 -0.228 3.733 3.960 0.001 0.000 0.226 429 G HA3 -0.228 3.733 3.960 0.001 0.000 0.226 429 G C 0.006 175.009 174.900 0.172 0.000 1.035 429 G CA -0.002 45.196 45.100 0.164 0.000 0.744 429 G HN 0.177 nan 8.290 nan 0.000 0.501 430 L N -0.073 121.285 121.223 0.225 0.000 2.436 430 L HA 0.515 4.855 4.340 0.001 0.000 0.265 430 L C -1.354 175.661 176.870 0.242 0.000 1.168 430 L CA -1.976 53.031 54.840 0.277 0.000 0.815 430 L CB 0.080 42.351 42.059 0.352 0.000 1.109 430 L HN -0.054 nan 8.230 nan 0.000 0.462 431 P HA 0.214 nan 4.420 nan 0.000 0.279 431 P C 0.054 177.513 177.300 0.265 0.000 1.252 431 P CA -0.332 62.816 63.100 0.081 0.000 0.811 431 P CB 0.783 32.329 31.700 -0.258 0.000 1.035 432 G N -0.183 108.709 108.800 0.153 0.000 2.583 432 G HA2 -0.106 3.854 3.960 0.001 0.000 0.275 432 G HA3 -0.106 3.854 3.960 0.001 0.000 0.275 432 G C 0.225 175.317 174.900 0.320 0.000 1.342 432 G CA -0.073 45.151 45.100 0.208 0.000 1.030 432 G HN 0.523 nan 8.290 nan 0.000 0.520 433 Y N -0.629 119.749 120.300 0.130 0.000 2.561 433 Y HA 0.038 4.589 4.550 0.001 0.000 0.291 433 Y C 2.244 178.208 175.900 0.108 0.000 1.141 433 Y CA 1.418 59.607 58.100 0.149 0.000 1.303 433 Y CB -0.015 38.464 38.460 0.032 0.000 1.015 433 Y HN 0.478 nan 8.280 nan 0.000 0.547 434 N N -0.610 118.027 118.700 -0.106 0.000 2.356 434 N HA 0.115 4.855 4.740 0.001 0.000 0.178 434 N C 1.820 177.237 175.510 -0.155 0.000 1.075 434 N CA 0.545 53.461 53.050 -0.224 0.000 0.889 434 N CB 0.051 38.436 38.487 -0.171 0.000 0.999 434 N HN 0.366 nan 8.380 nan 0.000 0.464 435 A N 0.006 122.718 122.820 -0.181 0.000 1.897 435 A HA -0.082 4.239 4.320 0.001 0.000 0.215 435 A C 1.393 178.824 177.584 -0.256 0.000 1.181 435 A CA 0.873 52.726 52.037 -0.307 0.000 0.620 435 A CB -0.773 17.903 19.000 -0.540 0.000 0.821 435 A HN 0.443 nan 8.150 nan 0.000 0.443 436 W N -0.772 120.553 121.300 0.041 0.000 2.584 436 W HA 0.147 4.807 4.660 0.001 0.000 0.264 436 W C 2.412 178.996 176.519 0.107 0.000 1.264 436 W CA 0.261 57.679 57.345 0.121 0.000 1.306 436 W CB 0.064 29.573 29.460 0.083 0.000 1.110 436 W HN 0.169 nan 8.180 nan 0.000 0.606 437 R N 0.665 121.252 120.500 0.145 0.000 2.115 437 R HA -0.072 4.268 4.340 0.001 0.000 0.226 437 R C 2.215 178.537 176.300 0.036 0.000 1.100 437 R CA 1.068 57.168 56.100 -0.001 0.000 0.980 437 R CB -0.210 29.902 30.300 -0.313 0.000 0.875 437 R HN 0.200 nan 8.270 nan 0.000 0.445 438 R N -0.327 120.192 120.500 0.031 0.000 2.127 438 R HA -0.075 4.266 4.340 0.001 0.000 0.217 438 R C 1.997 178.339 176.300 0.070 0.000 1.074 438 R CA 0.707 56.819 56.100 0.019 0.000 0.991 438 R CB -0.197 30.087 30.300 -0.028 0.000 0.895 438 R HN 0.124 nan 8.270 nan 0.000 0.450 439 F N 1.201 121.150 119.950 -0.002 0.000 2.146 439 F HA -0.003 4.525 4.527 0.001 0.000 0.298 439 F C 0.592 176.449 175.800 0.095 0.000 1.096 439 F CA 0.380 58.405 58.000 0.041 0.000 1.275 439 F CB -0.063 38.996 39.000 0.099 0.000 1.008 439 F HN -0.063 nan 8.300 nan 0.000 0.480 440 c N 1.292 119.962 118.600 0.115 0.000 2.459 440 c HA 0.479 5.049 4.570 0.001 0.000 0.374 440 c C 1.850 175.939 174.090 -0.002 0.000 1.241 440 c CA -0.203 56.141 56.329 0.025 0.000 2.352 440 c CB 0.459 43.077 42.510 0.181 0.000 2.490 440 c HN 0.601 nan 8.230 nan 0.000 0.583 441 G N 2.459 111.250 108.800 -0.016 0.000 3.318 441 G HA2 0.196 4.156 3.960 0.001 0.000 0.230 441 G HA3 0.196 4.156 3.960 0.001 0.000 0.230 441 G C 0.384 175.285 174.900 0.001 0.000 1.317 441 G CA 0.076 45.164 45.100 -0.021 0.000 1.197 441 G HN 0.711 nan 8.290 nan 0.000 0.514 442 L N -2.428 118.808 121.223 0.021 0.000 2.399 442 L HA 0.665 5.005 4.340 0.001 0.000 0.265 442 L C -2.375 174.489 176.870 -0.011 0.000 1.089 442 L CA -2.303 52.546 54.840 0.015 0.000 0.802 442 L CB 0.811 42.892 42.059 0.038 0.000 1.180 442 L HN -0.235 nan 8.230 nan 0.000 0.454 443 P HA 0.096 nan 4.420 nan 0.000 0.267 443 P C -1.361 175.904 177.300 -0.059 0.000 1.200 443 P CA 0.133 63.218 63.100 -0.026 0.000 0.772 443 P CB 0.324 32.018 31.700 -0.010 0.000 0.855 444 Q N 2.541 122.304 119.800 -0.063 0.000 2.721 444 Q HA 0.309 4.650 4.340 0.001 0.000 0.257 444 Q C -2.187 173.776 176.000 -0.063 0.000 1.070 444 Q CA -2.033 53.711 55.803 -0.099 0.000 0.910 444 Q CB 0.164 28.843 28.738 -0.100 0.000 1.163 444 Q HN 0.350 nan 8.270 nan 0.000 0.501 445 P HA -0.058 nan 4.420 nan 0.000 0.258 445 P C -0.193 177.112 177.300 0.007 0.000 1.172 445 P CA 0.650 63.752 63.100 0.002 0.000 0.762 445 P CB 0.611 32.336 31.700 0.042 0.000 0.764 446 E N 1.387 121.593 120.200 0.010 0.000 2.815 446 E HA 0.391 4.742 4.350 0.001 0.000 0.211 446 E C -0.060 176.555 176.600 0.025 0.000 1.004 446 E CA -0.415 55.994 56.400 0.014 0.000 1.173 446 E CB 0.209 29.911 29.700 0.003 0.000 1.163 446 E HN 0.531 nan 8.360 nan 0.000 0.449 447 T N -1.643 112.931 114.554 0.034 0.000 2.977 447 T HA 0.177 4.527 4.350 0.001 0.000 0.345 447 T C 0.999 175.724 174.700 0.042 0.000 1.562 447 T CA 0.122 62.243 62.100 0.035 0.000 1.090 447 T CB 1.335 70.219 68.868 0.026 0.000 1.383 447 T HN 0.506 nan 8.240 nan 0.000 0.484 448 V N 2.070 122.010 119.914 0.042 0.000 2.469 448 V HA -0.002 4.119 4.120 0.001 0.000 0.251 448 V C 2.063 178.179 176.094 0.037 0.000 1.064 448 V CA 2.941 65.267 62.300 0.043 0.000 1.066 448 V CB -1.013 30.834 31.823 0.039 0.000 0.667 448 V HN 1.035 nan 8.190 nan 0.000 0.461 449 G N -0.742 108.076 108.800 0.031 0.000 2.421 449 G HA2 -0.258 3.702 3.960 0.001 0.000 0.216 449 G HA3 -0.258 3.702 3.960 0.001 0.000 0.216 449 G C 1.483 176.399 174.900 0.028 0.000 1.171 449 G CA 0.951 46.067 45.100 0.026 0.000 0.775 449 G HN 0.623 nan 8.290 nan 0.000 0.543 450 Q N -0.534 119.284 119.800 0.029 0.000 2.124 450 Q HA -0.030 4.310 4.340 0.001 0.000 0.202 450 Q C 2.518 178.543 176.000 0.042 0.000 0.977 450 Q CA 0.629 56.450 55.803 0.030 0.000 0.850 450 Q CB -0.293 28.460 28.738 0.026 0.000 0.901 450 Q HN 0.347 nan 8.270 nan 0.000 0.429 451 L N 0.895 122.149 121.223 0.052 0.000 1.989 451 L HA -0.109 4.232 4.340 0.001 0.000 0.211 451 L C 2.283 179.186 176.870 0.054 0.000 1.071 451 L CA 2.364 57.245 54.840 0.068 0.000 0.749 451 L CB -1.405 40.699 42.059 0.076 0.000 0.890 451 L HN 0.229 nan 8.230 nan 0.000 0.431 452 G N -2.171 106.653 108.800 0.040 0.000 2.446 452 G HA2 -0.296 3.664 3.960 0.001 0.000 0.217 452 G HA3 -0.296 3.664 3.960 0.001 0.000 0.217 452 G C 1.456 176.374 174.900 0.031 0.000 1.168 452 G CA 1.326 46.444 45.100 0.031 0.000 0.771 452 G HN 0.425 nan 8.290 nan 0.000 0.551 453 T N 0.628 115.200 114.554 0.030 0.000 2.680 453 T HA -0.179 4.172 4.350 0.001 0.000 0.268 453 T C 2.415 177.135 174.700 0.033 0.000 1.033 453 T CA 1.485 63.602 62.100 0.028 0.000 1.152 453 T CB -0.292 68.591 68.868 0.025 0.000 0.859 453 T HN 0.087 nan 8.240 nan 0.000 0.452 454 V N 1.254 121.196 119.914 0.046 0.000 2.346 454 V HA -0.003 4.117 4.120 0.001 0.000 0.244 454 V C 1.681 177.809 176.094 0.058 0.000 1.037 454 V CA 1.280 63.617 62.300 0.061 0.000 1.029 454 V CB -0.343 31.539 31.823 0.099 0.000 0.663 454 V HN 0.496 nan 8.190 nan 0.000 0.454 455 L N -1.385 119.866 121.223 0.048 0.000 2.872 455 L HA 0.472 4.813 4.340 0.001 0.000 0.245 455 L C 0.689 177.566 176.870 0.011 0.000 1.211 455 L CA -0.440 54.414 54.840 0.024 0.000 1.013 455 L CB -1.082 40.976 42.059 -0.002 0.000 1.326 455 L HN 0.085 nan 8.230 nan 0.000 0.525 456 R N 2.375 122.886 120.500 0.018 0.000 2.670 456 R HA -0.263 4.077 4.340 0.001 0.000 0.240 456 R C -0.168 176.138 176.300 0.009 0.000 0.829 456 R CA 0.938 57.047 56.100 0.014 0.000 0.606 456 R CB -1.705 28.602 30.300 0.012 0.000 1.372 456 R HN 0.762 nan 8.270 nan 0.000 0.525 457 N N 1.577 120.283 118.700 0.011 0.000 3.506 457 N HA -0.054 4.687 4.740 0.001 0.000 0.174 457 N C 0.446 175.963 175.510 0.012 0.000 1.488 457 N CA -0.264 52.790 53.050 0.008 0.000 0.834 457 N CB 0.397 38.884 38.487 -0.000 0.000 1.677 457 N HN 0.122 nan 8.380 nan 0.000 0.654 458 L N 3.500 124.731 121.223 0.015 0.000 1.997 458 L HA -0.241 4.100 4.340 0.001 0.000 0.227 458 L C 1.948 178.829 176.870 0.017 0.000 1.087 458 L CA 2.391 57.241 54.840 0.017 0.000 0.797 458 L CB -0.877 41.191 42.059 0.015 0.000 0.902 458 L HN 0.494 nan 8.230 nan 0.000 0.441 459 K N -0.200 120.208 120.400 0.014 0.000 2.032 459 K HA -0.252 4.069 4.320 0.001 0.000 0.218 459 K C 1.861 178.470 176.600 0.015 0.000 1.054 459 K CA 2.122 58.417 56.287 0.014 0.000 0.941 459 K CB -1.202 31.304 32.500 0.010 0.000 0.720 459 K HN 0.483 nan 8.250 nan 0.000 0.449 460 L N -0.122 121.108 121.223 0.011 0.000 2.291 460 L HA 0.200 4.540 4.340 0.001 0.000 0.214 460 L C 2.129 179.011 176.870 0.020 0.000 1.120 460 L CA 1.785 56.632 54.840 0.011 0.000 0.799 460 L CB -1.320 40.740 42.059 0.001 0.000 0.925 460 L HN 0.142 nan 8.230 nan 0.000 0.446 461 A N 0.326 123.159 122.820 0.022 0.000 1.897 461 A HA -0.104 4.216 4.320 0.001 0.000 0.215 461 A C 2.479 180.089 177.584 0.045 0.000 1.181 461 A CA 1.317 53.375 52.037 0.034 0.000 0.620 461 A CB -0.477 18.543 19.000 0.034 0.000 0.821 461 A HN 0.463 nan 8.150 nan 0.000 0.443 462 R N -0.533 119.989 120.500 0.036 0.000 2.189 462 R HA -0.044 4.297 4.340 0.001 0.000 0.218 462 R C 2.502 178.827 176.300 0.042 0.000 1.074 462 R CA 1.401 57.523 56.100 0.037 0.000 0.991 462 R CB -0.221 30.096 30.300 0.027 0.000 0.883 462 R HN 0.558 nan 8.270 nan 0.000 0.457 463 K N 0.566 120.991 120.400 0.042 0.000 1.980 463 K HA -0.043 4.277 4.320 0.001 0.000 0.208 463 K C 1.810 178.458 176.600 0.080 0.000 1.043 463 K CA 0.909 57.223 56.287 0.046 0.000 0.938 463 K CB -1.015 31.507 32.500 0.037 0.000 0.724 463 K HN -0.064 nan 8.250 nan 0.000 0.438 464 L N 0.947 122.231 121.223 0.102 0.000 2.043 464 L HA -0.101 4.239 4.340 0.001 0.000 0.212 464 L C 2.622 179.638 176.870 0.244 0.000 1.075 464 L CA 1.801 56.755 54.840 0.191 0.000 0.752 464 L CB -0.821 41.294 42.059 0.093 0.000 0.891 464 L HN 0.436 nan 8.230 nan 0.000 0.432 465 M N -0.835 118.851 119.600 0.144 0.000 2.374 465 M HA -0.147 4.333 4.480 0.001 0.000 0.264 465 M C 2.079 178.447 176.300 0.114 0.000 1.067 465 M CA 1.712 57.093 55.300 0.134 0.000 1.103 465 M CB -0.610 32.043 32.600 0.088 0.000 1.402 465 M HN 0.469 nan 8.290 nan 0.000 0.444 466 E N -0.530 119.719 120.200 0.082 0.000 2.400 466 E HA -0.050 4.300 4.350 0.001 0.000 0.195 466 E C 1.699 178.299 176.600 -0.001 0.000 1.012 466 E CA 0.206 56.630 56.400 0.039 0.000 0.875 466 E CB -0.211 29.500 29.700 0.018 0.000 0.859 466 E HN 0.466 nan 8.360 nan 0.000 0.498 467 Q N -0.751 119.048 119.800 -0.001 0.000 2.020 467 Q HA -0.026 4.314 4.340 0.001 0.000 0.198 467 Q C 1.177 177.002 176.000 -0.292 0.000 0.974 467 Q CA 1.315 57.000 55.803 -0.198 0.000 0.829 467 Q CB -0.179 28.378 28.738 -0.300 0.000 0.894 467 Q HN 0.750 nan 8.270 nan 0.000 0.433 468 Y N -0.334 119.986 120.300 0.033 0.000 2.493 468 Y HA 0.232 4.783 4.550 0.001 0.000 0.275 468 Y C 1.719 177.644 175.900 0.043 0.000 1.183 468 Y CA 0.273 58.399 58.100 0.043 0.000 1.258 468 Y CB 0.140 38.635 38.460 0.057 0.000 1.108 468 Y HN 0.280 nan 8.280 nan 0.000 0.521 469 G N 0.183 109.073 108.800 0.150 0.000 4.293 469 G HA2 -0.415 3.546 3.960 0.001 0.000 0.222 469 G HA3 -0.415 3.546 3.960 0.001 0.000 0.222 469 G C 0.676 175.646 174.900 0.117 0.000 1.452 469 G CA 1.312 46.480 45.100 0.112 0.000 1.312 469 G HN 0.418 nan 8.290 nan 0.000 0.709 470 T N 1.651 116.288 114.554 0.140 0.000 2.841 470 T HA 0.633 4.984 4.350 0.001 0.000 0.283 470 T C -1.614 173.154 174.700 0.113 0.000 1.000 470 T CA -0.904 61.260 62.100 0.107 0.000 0.977 470 T CB 2.231 71.144 68.868 0.074 0.000 0.979 470 T HN 0.032 nan 8.240 nan 0.000 0.446 471 P HA -0.060 nan 4.420 nan 0.000 0.225 471 P C 1.043 178.410 177.300 0.111 0.000 1.148 471 P CA 0.819 63.990 63.100 0.118 0.000 0.779 471 P CB -0.235 31.543 31.700 0.131 0.000 0.780 472 N N 0.188 118.927 118.700 0.065 0.000 2.550 472 N HA -0.086 4.655 4.740 0.001 0.000 0.186 472 N C 0.978 176.524 175.510 0.059 0.000 1.110 472 N CA 0.342 53.416 53.050 0.042 0.000 0.912 472 N CB -0.607 37.878 38.487 -0.003 0.000 0.968 472 N HN 0.283 nan 8.380 nan 0.000 0.448 473 N N 0.569 119.313 118.700 0.074 0.000 2.200 473 N HA 0.045 4.786 4.740 0.001 0.000 0.224 473 N C -0.044 175.461 175.510 -0.008 0.000 1.179 473 N CA -0.488 52.623 53.050 0.103 0.000 0.877 473 N CB 0.406 38.977 38.487 0.140 0.000 1.072 473 N HN 0.120 nan 8.380 nan 0.000 0.519 474 I N 1.984 122.377 120.570 -0.296 0.000 2.519 474 I HA 0.153 4.324 4.170 0.001 0.000 0.287 474 I C -0.554 175.340 176.117 -0.371 0.000 1.047 474 I CA 0.019 60.704 61.300 -1.025 0.000 1.381 474 I CB 0.984 38.309 38.000 -1.125 0.000 1.417 474 I HN 0.084 nan 8.210 nan 0.000 0.540 475 D N 7.857 128.118 120.400 -0.232 0.000 2.425 475 D HA 0.076 4.716 4.640 0.001 0.000 0.247 475 D C 1.687 178.037 176.300 0.084 0.000 1.147 475 D CA -0.039 54.010 54.000 0.081 0.000 0.879 475 D CB 1.484 42.416 40.800 0.219 0.000 1.179 475 D HN 0.498 nan 8.370 nan 0.000 0.456 476 I N -0.306 120.362 120.570 0.163 0.000 2.181 476 I HA -0.299 3.872 4.170 0.001 0.000 0.247 476 I C 2.276 178.434 176.117 0.068 0.000 1.081 476 I CA 1.244 62.618 61.300 0.124 0.000 1.340 476 I CB -0.485 37.530 38.000 0.026 0.000 1.036 476 I HN 0.502 nan 8.210 nan 0.000 0.417 477 W N 1.873 123.157 121.300 -0.028 0.000 2.304 477 W HA -0.284 4.377 4.660 0.001 0.000 0.328 477 W C 2.665 179.153 176.519 -0.052 0.000 1.242 477 W CA 2.174 59.501 57.345 -0.029 0.000 1.243 477 W CB -0.561 28.897 29.460 -0.003 0.000 1.170 477 W HN 0.039 nan 8.180 nan 0.000 0.460 478 M N 1.050 120.682 119.600 0.054 0.000 2.226 478 M HA -0.172 4.309 4.480 0.001 0.000 0.257 478 M C 2.268 178.346 176.300 -0.370 0.000 1.070 478 M CA 2.654 57.858 55.300 -0.160 0.000 1.087 478 M CB -1.671 30.927 32.600 -0.002 0.000 1.278 478 M HN 0.172 nan 8.290 nan 0.000 0.426 479 G N -1.557 106.966 108.800 -0.462 0.000 2.480 479 G HA2 -0.140 3.821 3.960 0.001 0.000 0.216 479 G HA3 -0.140 3.821 3.960 0.001 0.000 0.216 479 G C 1.507 176.097 174.900 -0.517 0.000 1.200 479 G CA 1.221 45.786 45.100 -0.892 0.000 0.782 479 G HN 0.695 nan 8.290 nan 0.000 0.554 480 G N 0.864 109.490 108.800 -0.291 0.000 2.777 480 G HA2 -0.303 3.658 3.960 0.001 0.000 0.217 480 G HA3 -0.303 3.658 3.960 0.001 0.000 0.217 480 G C 1.983 176.720 174.900 -0.272 0.000 1.295 480 G CA 3.104 48.083 45.100 -0.202 0.000 0.800 480 G HN 1.004 nan 8.290 nan 0.000 0.637 481 V N -0.535 119.105 119.914 -0.456 0.000 2.568 481 V HA -0.106 4.015 4.120 0.001 0.000 0.253 481 V C 2.552 178.447 176.094 -0.331 0.000 1.072 481 V CA 2.518 64.537 62.300 -0.467 0.000 1.084 481 V CB -0.772 30.498 31.823 -0.922 0.000 0.676 481 V HN 0.552 nan 8.190 nan 0.000 0.469 482 S N -0.491 115.013 115.700 -0.328 0.000 2.593 482 S HA 0.112 4.583 4.470 0.001 0.000 0.217 482 S C 0.665 175.173 174.600 -0.154 0.000 0.966 482 S CA -0.389 57.676 58.200 -0.226 0.000 0.914 482 S CB -0.617 62.447 63.200 -0.226 0.000 0.776 482 S HN 0.793 nan 8.310 nan 0.000 0.523 483 E N 2.477 122.593 120.200 -0.140 0.000 2.366 483 E HA 0.271 4.621 4.350 0.001 0.000 0.266 483 E C -2.483 174.088 176.600 -0.047 0.000 1.051 483 E CA -2.280 54.081 56.400 -0.065 0.000 0.884 483 E CB 0.288 29.977 29.700 -0.019 0.000 1.006 483 E HN 0.286 nan 8.360 nan 0.000 0.417 484 P HA -0.057 nan 4.420 nan 0.000 0.267 484 P C -0.489 176.805 177.300 -0.010 0.000 1.200 484 P CA -0.077 63.016 63.100 -0.012 0.000 0.772 484 P CB 0.344 32.045 31.700 0.002 0.000 0.855 485 L N 2.656 123.875 121.223 -0.007 0.000 2.473 485 L HA 0.115 4.456 4.340 0.001 0.000 0.268 485 L C 1.070 177.942 176.870 0.003 0.000 1.215 485 L CA 0.535 55.373 54.840 -0.004 0.000 0.823 485 L CB -0.536 41.526 42.059 0.005 0.000 1.099 485 L HN 0.251 nan 8.230 nan 0.000 0.483 486 K N 0.760 121.160 120.400 0.001 0.000 2.202 486 K HA 0.160 4.480 4.320 0.001 0.000 0.264 486 K C -0.279 176.329 176.600 0.014 0.000 1.010 486 K CA -0.259 56.034 56.287 0.011 0.000 0.940 486 K CB 0.619 33.127 32.500 0.012 0.000 0.983 486 K HN 0.301 nan 8.250 nan 0.000 0.475 487 R N 1.781 122.291 120.500 0.018 0.000 2.473 487 R HA -0.029 4.312 4.340 0.001 0.000 0.315 487 R C 0.450 176.762 176.300 0.020 0.000 0.972 487 R CA 1.102 57.212 56.100 0.018 0.000 1.047 487 R CB -0.832 29.479 30.300 0.018 0.000 0.932 487 R HN 0.651 nan 8.270 nan 0.000 0.411 488 K N 0.245 120.658 120.400 0.021 0.000 3.553 488 K HA -0.138 4.182 4.320 0.001 0.000 0.303 488 K C 0.356 176.971 176.600 0.025 0.000 1.327 488 K CA 1.391 57.693 56.287 0.025 0.000 0.983 488 K CB -1.609 30.907 32.500 0.026 0.000 1.275 488 K HN 1.179 nan 8.250 nan 0.000 0.453 489 G N -1.003 107.808 108.800 0.018 0.000 3.209 489 G HA2 0.728 4.689 3.960 0.001 0.000 0.236 489 G HA3 0.728 4.689 3.960 0.001 0.000 0.236 489 G C -0.642 174.264 174.900 0.010 0.000 1.329 489 G CA -0.452 44.654 45.100 0.009 0.000 1.015 489 G HN 0.176 nan 8.290 nan 0.000 0.571 490 R N -0.371 120.124 120.500 -0.007 0.000 2.640 490 R HA 0.498 4.838 4.340 0.001 0.000 0.240 490 R C -1.450 174.827 176.300 -0.039 0.000 1.519 490 R CA -0.117 55.989 56.100 0.011 0.000 1.570 490 R CB 0.800 31.140 30.300 0.067 0.000 1.446 490 R HN 0.297 nan 8.270 nan 0.000 0.738 491 V N -1.021 118.849 119.914 -0.073 0.000 3.108 491 V HA 0.473 4.593 4.120 0.001 0.000 0.287 491 V C 0.318 176.372 176.094 -0.068 0.000 1.436 491 V CA -0.981 61.244 62.300 -0.125 0.000 1.001 491 V CB 2.475 34.140 31.823 -0.263 0.000 1.141 491 V HN 0.552 nan 8.190 nan 0.000 0.443 492 G N 2.557 111.321 108.800 -0.059 0.000 2.651 492 G HA2 0.440 4.401 3.960 0.001 0.000 0.260 492 G HA3 0.440 4.401 3.960 0.001 0.000 0.260 492 G C -1.774 173.132 174.900 0.009 0.000 1.216 492 G CA -0.809 44.280 45.100 -0.018 0.000 0.913 492 G HN 0.553 nan 8.290 nan 0.000 0.535 493 P HA -0.030 nan 4.420 nan 0.000 0.226 493 P C 1.904 179.251 177.300 0.078 0.000 1.153 493 P CA 0.001 63.141 63.100 0.067 0.000 0.777 493 P CB 0.228 31.974 31.700 0.077 0.000 0.794 494 L N -0.559 120.719 121.223 0.091 0.000 1.988 494 L HA -0.094 4.247 4.340 0.001 0.000 0.207 494 L C 2.102 178.996 176.870 0.040 0.000 1.071 494 L CA 1.865 56.776 54.840 0.117 0.000 0.744 494 L CB -1.587 40.595 42.059 0.206 0.000 0.893 494 L HN -0.136 nan 8.230 nan 0.000 0.433 495 L N -0.344 120.871 121.223 -0.013 0.000 2.141 495 L HA -0.041 4.299 4.340 0.001 0.000 0.209 495 L C 2.556 179.357 176.870 -0.114 0.000 1.094 495 L CA 1.830 56.628 54.840 -0.070 0.000 0.763 495 L CB -1.533 40.467 42.059 -0.099 0.000 0.908 495 L HN 0.372 nan 8.230 nan 0.000 0.437 496 A N -1.691 121.062 122.820 -0.111 0.000 1.897 496 A HA -0.236 4.084 4.320 0.001 0.000 0.215 496 A C 2.585 179.950 177.584 -0.366 0.000 1.181 496 A CA 1.485 53.429 52.037 -0.154 0.000 0.620 496 A CB -1.274 17.704 19.000 -0.037 0.000 0.821 496 A HN 0.568 nan 8.150 nan 0.000 0.443 497 c N -0.576 117.861 118.600 -0.272 0.000 2.496 497 c HA -0.023 4.548 4.570 0.001 0.000 0.281 497 c C 2.406 176.273 174.090 -0.373 0.000 1.250 497 c CA 1.171 57.211 56.329 -0.481 0.000 1.717 497 c CB -1.327 41.178 42.510 -0.007 0.000 2.082 497 c HN 0.597 nan 8.230 nan 0.000 0.472 498 I N 0.428 120.924 120.570 -0.123 0.000 2.248 498 I HA -0.200 3.971 4.170 0.001 0.000 0.248 498 I C 2.224 178.278 176.117 -0.105 0.000 1.107 498 I CA 1.928 63.180 61.300 -0.080 0.000 1.373 498 I CB -0.137 37.811 38.000 -0.087 0.000 1.055 498 I HN 0.452 nan 8.210 nan 0.000 0.418 499 I N -0.356 120.155 120.570 -0.099 0.000 2.400 499 I HA -0.106 4.064 4.170 0.001 0.000 0.248 499 I C 2.527 178.570 176.117 -0.124 0.000 1.109 499 I CA 1.139 62.433 61.300 -0.010 0.000 1.425 499 I CB -0.691 37.374 38.000 0.108 0.000 1.094 499 I HN 0.200 nan 8.210 nan 0.000 0.425 500 G N 0.185 108.818 108.800 -0.278 0.000 2.442 500 G HA2 -0.319 3.641 3.960 0.001 0.000 0.219 500 G HA3 -0.319 3.641 3.960 0.001 0.000 0.219 500 G C 1.795 176.587 174.900 -0.181 0.000 1.141 500 G CA 1.623 46.549 45.100 -0.291 0.000 0.763 500 G HN 0.422 nan 8.290 nan 0.000 0.554 501 T N -1.281 113.106 114.554 -0.278 0.000 2.942 501 T HA -0.080 4.271 4.350 0.001 0.000 0.265 501 T C 2.276 176.895 174.700 -0.136 0.000 1.062 501 T CA 1.808 63.861 62.100 -0.079 0.000 1.139 501 T CB -0.138 68.741 68.868 0.020 0.000 0.883 501 T HN 0.297 nan 8.240 nan 0.000 0.468 502 Q N -0.157 119.433 119.800 -0.349 0.000 2.046 502 Q HA 0.057 4.397 4.340 0.001 0.000 0.200 502 Q C 1.811 177.531 176.000 -0.468 0.000 0.975 502 Q CA 1.710 57.157 55.803 -0.593 0.000 0.836 502 Q CB -0.769 27.150 28.738 -1.364 0.000 0.896 502 Q HN 0.591 nan 8.270 nan 0.000 0.428 503 F N 0.428 120.176 119.950 -0.338 0.000 2.134 503 F HA -0.114 4.413 4.527 0.001 0.000 0.299 503 F C 2.389 178.236 175.800 0.079 0.000 1.097 503 F CA 1.520 59.456 58.000 -0.106 0.000 1.264 503 F CB -0.572 38.323 39.000 -0.174 0.000 1.001 503 F HN 0.142 nan 8.300 nan 0.000 0.479 504 R N 1.182 121.796 120.500 0.190 0.000 2.170 504 R HA -0.171 4.169 4.340 0.001 0.000 0.242 504 R C 1.547 177.872 176.300 0.043 0.000 1.145 504 R CA 1.688 57.869 56.100 0.135 0.000 0.984 504 R CB -0.470 29.898 30.300 0.113 0.000 0.869 504 R HN 0.240 nan 8.270 nan 0.000 0.455 505 K N -0.852 119.554 120.400 0.010 0.000 2.356 505 K HA 0.066 4.386 4.320 0.001 0.000 0.195 505 K C 1.353 177.963 176.600 0.018 0.000 1.037 505 K CA 0.166 56.442 56.287 -0.018 0.000 1.014 505 K CB 0.152 32.618 32.500 -0.057 0.000 0.815 505 K HN 0.048 nan 8.250 nan 0.000 0.507 506 L N 1.369 122.634 121.223 0.070 0.000 2.179 506 L HA 0.012 4.352 4.340 0.001 0.000 0.208 506 L C 2.283 179.296 176.870 0.239 0.000 1.096 506 L CA 1.408 56.357 54.840 0.181 0.000 0.779 506 L CB -0.516 41.682 42.059 0.232 0.000 0.922 506 L HN 0.117 nan 8.230 nan 0.000 0.443 507 R N -0.091 120.427 120.500 0.030 0.000 2.052 507 R HA -0.108 4.232 4.340 0.001 0.000 0.226 507 R C 1.454 177.570 176.300 -0.307 0.000 1.145 507 R CA 1.739 57.562 56.100 -0.461 0.000 0.952 507 R CB -0.168 29.667 30.300 -0.776 0.000 0.847 507 R HN 0.249 nan 8.270 nan 0.000 0.431 508 D N -1.162 119.150 120.400 -0.146 0.000 2.312 508 D HA -0.004 4.636 4.640 0.001 0.000 0.211 508 D C 0.938 177.195 176.300 -0.072 0.000 0.964 508 D CA 0.994 54.968 54.000 -0.042 0.000 0.877 508 D CB 0.182 40.932 40.800 -0.085 0.000 0.924 508 D HN 0.446 nan 8.370 nan 0.000 0.515 509 G N -0.320 108.482 108.800 0.003 0.000 3.805 509 G HA2 0.094 4.055 3.960 0.001 0.000 0.290 509 G HA3 0.094 4.055 3.960 0.001 0.000 0.290 509 G C -0.573 174.486 174.900 0.265 0.000 1.077 509 G CA -0.341 44.754 45.100 -0.008 0.000 0.852 509 G HN 0.003 nan 8.290 nan 0.000 0.531 510 D N -0.336 120.279 120.400 0.358 0.000 2.471 510 D HA 0.223 4.864 4.640 0.001 0.000 0.245 510 D C 1.185 177.792 176.300 0.512 0.000 1.116 510 D CA -0.826 53.416 54.000 0.404 0.000 0.853 510 D CB 1.460 42.503 40.800 0.405 0.000 1.123 510 D HN -0.007 nan 8.370 nan 0.000 0.540 511 R N 2.605 123.362 120.500 0.429 0.000 2.316 511 R HA 0.053 4.393 4.340 0.001 0.000 0.202 511 R C 0.182 176.359 176.300 -0.204 0.000 1.029 511 R CA 0.934 56.958 56.100 -0.126 0.000 1.018 511 R CB -0.031 30.139 30.300 -0.217 0.000 0.888 511 R HN 0.331 nan 8.270 nan 0.000 0.471 512 F N -0.557 119.348 119.950 -0.074 0.000 2.772 512 F HA 0.194 4.722 4.527 0.001 0.000 0.302 512 F C -0.124 175.702 175.800 0.043 0.000 1.136 512 F CA -1.103 56.846 58.000 -0.084 0.000 1.322 512 F CB 0.111 39.022 39.000 -0.149 0.000 0.967 512 F HN 0.087 nan 8.300 nan 0.000 0.513 513 W N 3.177 124.494 121.300 0.030 0.000 2.345 513 W HA 0.042 4.703 4.660 0.001 0.000 0.308 513 W C 1.234 177.725 176.519 -0.047 0.000 1.273 513 W CA -1.015 56.331 57.345 0.000 0.000 1.243 513 W CB 0.464 29.802 29.460 -0.203 0.000 1.260 513 W HN 0.536 nan 8.180 nan 0.000 0.509 514 W N 4.649 125.662 121.300 -0.478 0.000 2.256 514 W HA -0.310 4.350 4.660 0.001 0.000 0.311 514 W C 0.540 176.956 176.519 -0.172 0.000 1.258 514 W CA 1.914 59.078 57.345 -0.301 0.000 1.269 514 W CB -1.124 28.224 29.460 -0.187 0.000 1.134 514 W HN 0.477 nan 8.180 nan 0.000 0.518 515 E N 0.841 120.438 120.200 -1.006 0.000 2.511 515 E HA -0.089 4.262 4.350 0.001 0.000 0.196 515 E C 0.329 176.958 176.600 0.048 0.000 1.066 515 E CA -0.172 55.897 56.400 -0.552 0.000 0.871 515 E CB -0.300 29.071 29.700 -0.548 0.000 0.863 515 E HN 0.186 nan 8.360 nan 0.000 0.520 516 N N 0.592 119.361 118.700 0.115 0.000 2.508 516 N HA 0.016 4.756 4.740 0.001 0.000 0.264 516 N C -0.146 175.375 175.510 0.018 0.000 1.216 516 N CA 0.441 53.592 53.050 0.168 0.000 0.943 516 N CB 0.778 39.283 38.487 0.030 0.000 1.113 516 N HN 0.058 nan 8.380 nan 0.000 0.447 517 E N 1.107 121.309 120.200 0.002 0.000 2.368 517 E HA 0.326 4.677 4.350 0.001 0.000 0.283 517 E C 0.722 177.274 176.600 -0.080 0.000 1.476 517 E CA -0.062 56.321 56.400 -0.029 0.000 1.786 517 E CB -0.381 29.311 29.700 -0.014 0.000 1.518 517 E HN 0.731 nan 8.360 nan 0.000 0.456 518 G N -0.806 107.910 108.800 -0.139 0.000 4.517 518 G HA2 0.225 4.186 3.960 0.001 0.000 0.258 518 G HA3 0.225 4.186 3.960 0.001 0.000 0.258 518 G C 1.331 176.111 174.900 -0.200 0.000 1.038 518 G CA 0.763 45.770 45.100 -0.156 0.000 0.810 518 G HN 0.878 nan 8.290 nan 0.000 0.383 519 V N -2.602 117.174 119.914 -0.231 0.000 2.379 519 V HA 0.517 4.637 4.120 0.001 0.000 0.243 519 V C 0.609 176.522 176.094 -0.301 0.000 1.035 519 V CA 0.658 62.748 62.300 -0.350 0.000 1.035 519 V CB -0.337 31.225 31.823 -0.435 0.000 0.673 519 V HN -0.049 nan 8.190 nan 0.000 0.457 520 F N 0.572 120.481 119.950 -0.068 0.000 2.620 520 F HA 0.769 5.296 4.527 0.001 0.000 0.320 520 F C 0.453 176.191 175.800 -0.102 0.000 1.069 520 F CA -0.983 56.953 58.000 -0.106 0.000 0.953 520 F CB 1.799 40.789 39.000 -0.015 0.000 1.322 520 F HN 0.251 nan 8.300 nan 0.000 0.479 521 S N 0.783 116.523 115.700 0.066 0.000 2.686 521 S HA 0.595 5.066 4.470 0.001 0.000 0.270 521 S C 1.204 175.822 174.600 0.031 0.000 1.194 521 S CA 0.055 58.259 58.200 0.006 0.000 0.990 521 S CB 0.953 64.121 63.200 -0.052 0.000 1.029 521 S HN 0.821 nan 8.310 nan 0.000 0.560 522 M N 0.499 120.110 119.600 0.018 0.000 2.059 522 M HA -0.037 4.443 4.480 0.001 0.000 0.259 522 M C 2.335 178.656 176.300 0.035 0.000 1.072 522 M CA 2.774 58.093 55.300 0.032 0.000 1.117 522 M CB -2.588 30.023 32.600 0.019 0.000 1.320 522 M HN 0.910 nan 8.290 nan 0.000 0.408 523 Q N 0.146 119.953 119.800 0.011 0.000 2.065 523 Q HA -0.310 4.030 4.340 0.001 0.000 0.213 523 Q C 2.055 178.051 176.000 -0.007 0.000 1.012 523 Q CA 2.824 58.628 55.803 0.001 0.000 0.876 523 Q CB -0.806 27.919 28.738 -0.021 0.000 0.954 523 Q HN 0.896 nan 8.270 nan 0.000 0.413 524 Q N 0.160 119.913 119.800 -0.079 0.000 1.985 524 Q HA -0.188 4.153 4.340 0.001 0.000 0.207 524 Q C 2.040 178.036 176.000 -0.008 0.000 0.996 524 Q CA 2.026 57.711 55.803 -0.198 0.000 0.851 524 Q CB -0.115 28.378 28.738 -0.407 0.000 0.921 524 Q HN 0.278 nan 8.270 nan 0.000 0.418 525 R N -0.199 120.358 120.500 0.095 0.000 2.140 525 R HA -0.265 4.075 4.340 0.001 0.000 0.250 525 R C 2.435 178.868 176.300 0.221 0.000 1.150 525 R CA 2.000 58.261 56.100 0.268 0.000 0.966 525 R CB -0.393 30.084 30.300 0.295 0.000 0.869 525 R HN 0.413 nan 8.270 nan 0.000 0.445 526 Q N -0.546 119.336 119.800 0.138 0.000 2.029 526 Q HA -0.235 4.105 4.340 0.001 0.000 0.209 526 Q C 2.128 178.184 176.000 0.093 0.000 0.999 526 Q CA 2.220 58.090 55.803 0.111 0.000 0.857 526 Q CB -0.209 28.573 28.738 0.073 0.000 0.926 526 Q HN 0.515 nan 8.270 nan 0.000 0.415 527 A N -0.232 122.636 122.820 0.080 0.000 2.067 527 A HA -0.069 4.251 4.320 0.001 0.000 0.217 527 A C 1.826 179.424 177.584 0.023 0.000 1.156 527 A CA 0.419 52.487 52.037 0.052 0.000 0.683 527 A CB -0.323 18.707 19.000 0.050 0.000 0.808 527 A HN 0.384 nan 8.150 nan 0.000 0.455 528 L N -0.522 120.724 121.223 0.039 0.000 2.351 528 L HA -0.081 4.260 4.340 0.001 0.000 0.220 528 L C 1.995 178.745 176.870 -0.200 0.000 1.127 528 L CA 1.638 56.441 54.840 -0.061 0.000 0.786 528 L CB -0.334 41.719 42.059 -0.009 0.000 0.914 528 L HN 0.338 nan 8.230 nan 0.000 0.443 529 A N -1.886 120.893 122.820 -0.067 0.000 2.577 529 A HA 0.171 4.491 4.320 0.001 0.000 0.280 529 A C 1.671 179.236 177.584 -0.030 0.000 1.331 529 A CA -0.144 51.854 52.037 -0.066 0.000 0.935 529 A CB -0.214 18.889 19.000 0.171 0.000 1.082 529 A HN 0.531 nan 8.150 nan 0.000 0.525 530 Q N -0.053 119.712 119.800 -0.058 0.000 2.245 530 Q HA 0.255 4.595 4.340 0.001 0.000 0.236 530 Q C 0.563 176.518 176.000 -0.075 0.000 0.842 530 Q CA -0.187 55.589 55.803 -0.045 0.000 0.945 530 Q CB 0.318 29.036 28.738 -0.032 0.000 1.122 530 Q HN 0.856 nan 8.270 nan 0.000 0.506 531 I N 1.023 121.525 120.570 -0.114 0.000 2.556 531 I HA 0.239 4.409 4.170 0.001 0.000 0.284 531 I C -0.544 175.504 176.117 -0.115 0.000 1.114 531 I CA 0.041 61.264 61.300 -0.128 0.000 1.418 531 I CB 0.865 38.761 38.000 -0.173 0.000 1.394 531 I HN -0.039 nan 8.210 nan 0.000 0.552 532 S N 5.925 121.562 115.700 -0.105 0.000 2.547 532 S HA 0.328 4.798 4.470 0.001 0.000 0.281 532 S C 0.292 174.824 174.600 -0.114 0.000 1.118 532 S CA -0.922 57.215 58.200 -0.105 0.000 0.947 532 S CB 2.008 65.145 63.200 -0.104 0.000 1.053 532 S HN 0.846 nan 8.310 nan 0.000 0.482 533 L N 2.968 124.116 121.223 -0.126 0.000 2.013 533 L HA 0.083 4.423 4.340 0.001 0.000 0.212 533 L C -0.960 175.831 176.870 -0.133 0.000 1.073 533 L CA 2.335 57.099 54.840 -0.127 0.000 0.753 533 L CB -1.529 40.441 42.059 -0.148 0.000 0.890 533 L HN 0.593 nan 8.230 nan 0.000 0.432 534 P HA -0.270 nan 4.420 nan 0.000 0.216 534 P C 1.590 178.828 177.300 -0.103 0.000 1.154 534 P CA 2.097 65.108 63.100 -0.148 0.000 0.865 534 P CB -0.248 31.349 31.700 -0.171 0.000 0.789 535 R N 0.118 120.560 120.500 -0.098 0.000 2.092 535 R HA -0.057 4.284 4.340 0.001 0.000 0.231 535 R C 2.416 178.674 176.300 -0.071 0.000 1.119 535 R CA 1.215 57.269 56.100 -0.077 0.000 0.970 535 R CB -1.049 29.205 30.300 -0.077 0.000 0.864 535 R HN 0.107 nan 8.270 nan 0.000 0.440 536 I N 0.946 121.469 120.570 -0.078 0.000 2.151 536 I HA -0.289 3.882 4.170 0.001 0.000 0.243 536 I C 2.363 178.447 176.117 -0.055 0.000 1.080 536 I CA 1.523 62.782 61.300 -0.068 0.000 1.339 536 I CB -0.411 37.547 38.000 -0.070 0.000 1.039 536 I HN 0.329 nan 8.210 nan 0.000 0.409 537 I N -0.769 119.766 120.570 -0.059 0.000 3.550 537 I HA -0.137 4.034 4.170 0.001 0.000 0.295 537 I C 1.888 177.986 176.117 -0.031 0.000 1.291 537 I CA 0.470 61.743 61.300 -0.044 0.000 1.298 537 I CB 0.086 38.056 38.000 -0.051 0.000 1.026 537 I HN 0.370 nan 8.210 nan 0.000 0.491 538 c N 0.346 118.924 118.600 -0.037 0.000 2.370 538 c HA 0.109 4.679 4.570 0.001 0.000 0.348 538 c C 2.216 176.290 174.090 -0.026 0.000 1.477 538 c CA 0.650 56.963 56.329 -0.026 0.000 2.302 538 c CB -0.318 42.174 42.510 -0.030 0.000 2.220 538 c HN 0.543 nan 8.230 nan 0.000 0.625 539 D N 1.409 121.788 120.400 -0.035 0.000 2.116 539 D HA -0.151 4.489 4.640 0.001 0.000 0.193 539 D C 1.365 177.649 176.300 -0.028 0.000 0.998 539 D CA 1.691 55.670 54.000 -0.034 0.000 0.836 539 D CB -0.913 39.860 40.800 -0.045 0.000 0.951 539 D HN 0.657 nan 8.370 nan 0.000 0.449 540 N N -0.463 118.220 118.700 -0.029 0.000 2.467 540 N HA -0.014 4.727 4.740 0.001 0.000 0.184 540 N C 0.324 175.823 175.510 -0.018 0.000 1.106 540 N CA 0.558 53.594 53.050 -0.022 0.000 0.892 540 N CB 0.388 38.863 38.487 -0.021 0.000 0.969 540 N HN 0.228 nan 8.380 nan 0.000 0.454 541 T N -4.187 110.357 114.554 -0.017 0.000 2.883 541 T HA 0.488 4.839 4.350 0.001 0.000 0.284 541 T C 1.197 175.893 174.700 -0.007 0.000 1.041 541 T CA -0.821 61.271 62.100 -0.013 0.000 1.007 541 T CB 1.382 70.242 68.868 -0.013 0.000 1.220 541 T HN -0.053 nan 8.240 nan 0.000 0.552 542 G N 0.121 108.918 108.800 -0.005 0.000 2.985 542 G HA2 0.213 4.173 3.960 0.001 0.000 0.209 542 G HA3 0.213 4.173 3.960 0.001 0.000 0.209 542 G C 0.824 175.728 174.900 0.007 0.000 1.165 542 G CA -0.309 44.791 45.100 0.000 0.000 0.776 542 G HN 0.863 nan 8.290 nan 0.000 0.541 543 I N -0.225 120.351 120.570 0.010 0.000 2.529 543 I HA 0.312 4.483 4.170 0.001 0.000 0.284 543 I C 0.935 177.080 176.117 0.047 0.000 1.082 543 I CA 0.052 61.372 61.300 0.032 0.000 1.406 543 I CB 0.864 38.888 38.000 0.041 0.000 1.405 543 I HN -0.057 nan 8.210 nan 0.000 0.548 544 T N 4.232 118.828 114.554 0.069 0.000 2.764 544 T HA -0.070 4.280 4.350 0.001 0.000 0.243 544 T C 0.991 175.729 174.700 0.063 0.000 1.065 544 T CA 1.224 63.360 62.100 0.059 0.000 1.219 544 T CB -0.139 68.767 68.868 0.062 0.000 0.918 544 T HN 0.836 nan 8.240 nan 0.000 0.409 545 T N 2.482 117.094 114.554 0.096 0.000 2.814 545 T HA 0.512 4.862 4.350 0.001 0.000 0.297 545 T C -0.609 174.182 174.700 0.152 0.000 0.956 545 T CA -0.404 61.729 62.100 0.055 0.000 1.123 545 T CB 0.407 69.257 68.868 -0.029 0.000 0.902 545 T HN 0.204 nan 8.240 nan 0.000 0.528 546 V N 4.125 124.087 119.914 0.081 0.000 3.158 546 V HA 0.653 4.773 4.120 0.001 0.000 0.315 546 V C 0.046 176.015 176.094 -0.208 0.000 1.148 546 V CA -0.679 61.644 62.300 0.039 0.000 1.042 546 V CB 2.748 34.539 31.823 -0.052 0.000 1.101 546 V HN 0.997 nan 8.190 nan 0.000 0.448 547 S N 1.445 116.736 115.700 -0.682 0.000 2.586 547 S HA 0.359 4.829 4.470 0.001 0.000 0.274 547 S C -0.298 173.979 174.600 -0.539 0.000 1.281 547 S CA -0.604 56.879 58.200 -1.195 0.000 1.035 547 S CB 1.171 63.610 63.200 -1.269 0.000 0.962 547 S HN 0.662 nan 8.310 nan 0.000 0.512 548 K N 2.119 122.281 120.400 -0.397 0.000 2.180 548 K HA 0.136 4.457 4.320 0.001 0.000 0.251 548 K C 0.188 176.656 176.600 -0.220 0.000 1.014 548 K CA -0.720 55.426 56.287 -0.235 0.000 0.913 548 K CB -0.170 32.240 32.500 -0.150 0.000 1.008 548 K HN 0.734 nan 8.250 nan 0.000 0.490 549 N N 2.732 121.336 118.700 -0.161 0.000 1.920 549 N HA -0.178 4.563 4.740 0.001 0.000 0.307 549 N C -0.058 175.367 175.510 -0.142 0.000 1.305 549 N CA 1.077 54.042 53.050 -0.141 0.000 0.800 549 N CB -0.165 38.259 38.487 -0.105 0.000 1.035 549 N HN 0.718 nan 8.380 nan 0.000 0.498 550 N N 2.188 120.777 118.700 -0.184 0.000 3.053 550 N HA -0.150 4.590 4.740 0.001 0.000 0.252 550 N C 0.222 175.560 175.510 -0.286 0.000 1.092 550 N CA -0.060 52.888 53.050 -0.170 0.000 0.668 550 N CB -0.821 37.651 38.487 -0.024 0.000 1.009 550 N HN 0.391 nan 8.380 nan 0.000 0.572 551 I N 0.852 121.110 120.570 -0.519 0.000 2.113 551 I HA -0.295 3.875 4.170 0.001 0.000 0.242 551 I C 2.159 178.022 176.117 -0.422 0.000 1.064 551 I CA 1.735 62.696 61.300 -0.565 0.000 1.320 551 I CB -0.594 36.976 38.000 -0.716 0.000 1.028 551 I HN 0.397 nan 8.210 nan 0.000 0.406 552 F N -1.060 118.862 119.950 -0.048 0.000 2.287 552 F HA -0.191 4.336 4.527 0.001 0.000 0.301 552 F C 2.307 178.108 175.800 0.000 0.000 1.069 552 F CA 1.016 59.008 58.000 -0.014 0.000 1.372 552 F CB -1.005 38.026 39.000 0.052 0.000 1.056 552 F HN 0.093 nan 8.300 nan 0.000 0.523 553 M N 0.081 119.743 119.600 0.102 0.000 2.419 553 M HA 0.150 4.631 4.480 0.001 0.000 0.252 553 M C -0.160 176.148 176.300 0.014 0.000 1.143 553 M CA 0.080 55.423 55.300 0.072 0.000 0.985 553 M CB -0.075 32.562 32.600 0.063 0.000 1.489 553 M HN 0.087 nan 8.290 nan 0.000 0.484 554 S N -0.649 115.031 115.700 -0.034 0.000 2.664 554 S HA 0.342 4.813 4.470 0.001 0.000 0.262 554 S C 0.180 174.774 174.600 -0.010 0.000 1.229 554 S CA -0.971 57.204 58.200 -0.041 0.000 1.151 554 S CB 0.172 63.309 63.200 -0.105 0.000 1.054 554 S HN 0.375 nan 8.310 nan 0.000 0.483 555 N N 2.217 120.950 118.700 0.057 0.000 2.135 555 N HA -0.057 4.683 4.740 0.001 0.000 0.186 555 N C 0.520 176.175 175.510 0.240 0.000 1.027 555 N CA 0.290 53.406 53.050 0.109 0.000 0.849 555 N CB -0.558 37.970 38.487 0.069 0.000 1.002 555 N HN 0.524 nan 8.380 nan 0.000 0.425 556 S N 0.588 116.408 115.700 0.201 0.000 2.571 556 S HA -0.137 4.334 4.470 0.001 0.000 0.298 556 S C -0.410 174.443 174.600 0.423 0.000 1.280 556 S CA 0.312 58.651 58.200 0.231 0.000 1.052 556 S CB -0.017 63.268 63.200 0.142 0.000 0.799 556 S HN 0.448 nan 8.310 nan 0.000 0.501 557 Y N 4.737 125.020 120.300 -0.029 0.000 2.569 557 Y HA 0.342 4.892 4.550 0.001 0.000 0.310 557 Y C -2.514 173.177 175.900 -0.350 0.000 1.021 557 Y CA -2.166 55.703 58.100 -0.386 0.000 1.152 557 Y CB -0.007 37.641 38.460 -1.354 0.000 1.140 557 Y HN 0.494 nan 8.280 nan 0.000 0.621 558 P HA 0.224 nan 4.420 nan 0.000 0.208 558 P C -0.157 177.298 177.300 0.258 0.000 1.131 558 P CA 0.433 63.596 63.100 0.105 0.000 0.906 558 P CB 0.612 32.309 31.700 -0.005 0.000 0.764 559 R N -0.376 120.219 120.500 0.158 0.000 2.744 559 R HA 0.593 4.933 4.340 0.001 0.000 0.279 559 R C -1.393 175.024 176.300 0.195 0.000 0.977 559 R CA -0.045 56.139 56.100 0.140 0.000 0.906 559 R CB 0.432 30.777 30.300 0.075 0.000 1.197 559 R HN 0.094 nan 8.270 nan 0.000 0.463 560 D N 0.372 120.938 120.400 0.275 0.000 3.691 560 D HA 0.173 4.813 4.640 0.001 0.000 0.377 560 D C -1.333 174.957 176.300 -0.016 0.000 0.761 560 D CA 0.113 54.221 54.000 0.180 0.000 0.869 560 D CB -0.188 40.749 40.800 0.228 0.000 1.713 560 D HN 0.341 nan 8.370 nan 0.000 0.229 561 F N 0.236 120.065 119.950 -0.202 0.000 2.631 561 F HA 0.734 5.262 4.527 0.001 0.000 0.328 561 F C 0.557 176.208 175.800 -0.248 0.000 1.067 561 F CA -1.241 56.577 58.000 -0.303 0.000 0.969 561 F CB 1.410 40.022 39.000 -0.647 0.000 1.332 561 F HN -0.215 nan 8.300 nan 0.000 0.490 562 V N -1.911 117.978 119.914 -0.042 0.000 3.076 562 V HA 0.901 5.021 4.120 0.001 0.000 0.311 562 V C -0.593 175.467 176.094 -0.056 0.000 1.346 562 V CA -0.228 62.038 62.300 -0.057 0.000 1.056 562 V CB 1.026 32.811 31.823 -0.063 0.000 1.093 562 V HN 0.992 nan 8.190 nan 0.000 0.468 563 N N -1.858 116.817 118.700 -0.043 0.000 2.491 563 N HA 0.400 5.140 4.740 0.001 0.000 0.279 563 N C 0.360 175.854 175.510 -0.027 0.000 1.236 563 N CA 0.078 53.110 53.050 -0.030 0.000 0.982 563 N CB 1.074 39.549 38.487 -0.020 0.000 1.194 563 N HN 1.004 nan 8.380 nan 0.000 0.582 564 c N 0.531 119.121 118.600 -0.017 0.000 2.524 564 c HA 0.322 4.892 4.570 0.001 0.000 0.301 564 c C 1.515 175.591 174.090 -0.023 0.000 1.296 564 c CA 0.212 56.528 56.329 -0.021 0.000 1.683 564 c CB -1.900 40.602 42.510 -0.013 0.000 1.764 564 c HN 0.775 nan 8.230 nan 0.000 0.597 565 S N -0.890 114.797 115.700 -0.023 0.000 2.549 565 S HA -0.022 4.449 4.470 0.001 0.000 0.225 565 S C 1.212 175.797 174.600 -0.024 0.000 1.039 565 S CA 0.170 58.358 58.200 -0.021 0.000 0.942 565 S CB 0.011 63.201 63.200 -0.016 0.000 0.881 565 S HN 0.737 nan 8.310 nan 0.000 0.503 566 T N 1.651 116.188 114.554 -0.029 0.000 3.607 566 T HA 0.566 4.916 4.350 0.001 0.000 0.225 566 T C -0.398 174.277 174.700 -0.041 0.000 0.904 566 T CA -0.194 61.887 62.100 -0.032 0.000 0.962 566 T CB -0.494 68.353 68.868 -0.034 0.000 1.221 566 T HN -0.011 nan 8.240 nan 0.000 0.641 567 L N 1.527 122.727 121.223 -0.039 0.000 2.705 567 L HA 0.486 4.826 4.340 0.001 0.000 0.260 567 L C -2.502 174.343 176.870 -0.041 0.000 0.921 567 L CA -1.854 52.959 54.840 -0.046 0.000 0.948 567 L CB 1.956 43.982 42.059 -0.055 0.000 1.427 567 L HN 0.081 nan 8.230 nan 0.000 0.432 568 P HA 0.674 nan 4.420 nan 0.000 0.275 568 P C -0.852 176.420 177.300 -0.046 0.000 1.270 568 P CA -0.312 62.766 63.100 -0.037 0.000 0.791 568 P CB 0.917 32.597 31.700 -0.032 0.000 1.089 569 A N -0.632 122.162 122.820 -0.045 0.000 2.686 569 A HA 0.655 4.975 4.320 0.001 0.000 0.263 569 A C -0.410 177.138 177.584 -0.060 0.000 1.264 569 A CA -0.625 51.379 52.037 -0.055 0.000 0.799 569 A CB 0.140 19.111 19.000 -0.049 0.000 1.363 569 A HN 0.439 nan 8.150 nan 0.000 0.507 570 L N -1.235 119.943 121.223 -0.074 0.000 2.874 570 L HA 0.473 4.813 4.340 0.001 0.000 0.229 570 L C -0.105 176.738 176.870 -0.045 0.000 1.200 570 L CA -0.361 54.431 54.840 -0.081 0.000 0.976 570 L CB 1.141 43.113 42.059 -0.146 0.000 1.887 570 L HN 0.898 nan 8.230 nan 0.000 0.543 571 N N -0.692 117.992 118.700 -0.026 0.000 2.679 571 N HA 0.127 4.868 4.740 0.001 0.000 0.240 571 N C 0.175 175.739 175.510 0.089 0.000 1.537 571 N CA -0.184 52.881 53.050 0.026 0.000 0.793 571 N CB 0.444 38.959 38.487 0.047 0.000 1.391 571 N HN 0.276 nan 8.380 nan 0.000 0.524 572 L N 0.780 121.999 121.223 -0.006 0.000 2.351 572 L HA -0.081 4.260 4.340 0.001 0.000 0.220 572 L C 2.415 179.403 176.870 0.197 0.000 1.127 572 L CA 1.357 56.212 54.840 0.025 0.000 0.786 572 L CB -0.939 41.013 42.059 -0.178 0.000 0.914 572 L HN 0.502 nan 8.230 nan 0.000 0.443 573 A N -0.354 122.529 122.820 0.105 0.000 1.882 573 A HA -0.395 3.926 4.320 0.001 0.000 0.220 573 A C 2.542 180.205 177.584 0.130 0.000 1.253 573 A CA 2.809 54.894 52.037 0.080 0.000 0.664 573 A CB -1.362 17.667 19.000 0.048 0.000 0.838 573 A HN 0.522 nan 8.150 nan 0.000 0.460 574 S N -1.630 114.168 115.700 0.163 0.000 2.488 574 S HA -0.153 4.318 4.470 0.001 0.000 0.246 574 S C 0.845 175.534 174.600 0.147 0.000 0.992 574 S CA 0.357 58.638 58.200 0.135 0.000 0.963 574 S CB -0.558 62.706 63.200 0.106 0.000 0.754 574 S HN 0.499 nan 8.310 nan 0.000 0.519 575 W N 0.000 121.310 121.300 0.017 0.000 2.388 575 W HA 0.000 4.660 4.660 0.001 0.000 0.303 575 W CA 0.000 57.406 57.345 0.102 0.000 1.226 575 W CB 0.000 29.538 29.460 0.130 0.000 1.126 575 W HN 0.000 nan 8.180 nan 0.000 0.535